64500 <common-name>Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-</common-name> <description>Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]- belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H9N5O1S1 and an average molecular weight of 247.28 g/mol.</description> <cas>115714-54-0</cas> <pubchem-id>2806529</pubchem-id> <chemical-formula>C10H9N5O1S1</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T02:32:11Z</created-at> <updated-at type="dateTime">2026-04-03T02:32:11Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>O=C(NC(=S)NC1=NC=NN1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C10H9N5O1S1</moldb-formula> <moldb-inchi>InChI=1S/C10H9N5OS/c16-8(7-4-2-1-3-5-7)13-10(17)14-9-11-6-12-15-9/h1-6H,(H3,11,12,13,14,15,16,17)</moldb-inchi> <moldb-inchikey>ISJKWWWRJNONKI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">247.28</moldb-average-mass> <moldb-mono-mass type="decimal">247.052781</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2085030</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM060393</chemdb-id> <dsstox-id>DTXSID00384498</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00016704</susdat-id> <iupac>N-(1H-1,2,4-triazol-5-ylcarbamothioyl)benzamide</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0187156</sync-id> <structure-inchikey>ISJKWWWRJNONKI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4020000040020002000000000020040000000000000000000000000000000000000000000000002004000000000000000000000002400000000000000000000000000000400000000020000000000000000000000000000000000000010000000000000000000000000000002000000000000000000000000000000000000000800000210000000080000000000100000000000000000000000000000000000000000000084000000000000800080000000000000000000002000000000000000000000000000000400000000000000000000200000000000002008000000000004040000000000400000000000100004002000000000000</structure-fingerprint> <structure-pattern-fingerprint>40000000090204000000000001082000000004020005a000003080400200000c4002005000800000000041000080000004200026808c30010000643000a00000c4110400021000000080100000620000000001804021013240000422002008000c218404004002002000000054100000200080300121c0843118082002110002004000180c400008080002000a8c0008111c0012444014820000080000400006404300000000c00000002948257c211002c00000884108401800000080400210004080440400100201800004000102800000000002004020091000040800000000000000100100000000001040022000001000108440000a0000008058010006</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEgAAAIABCAAoAAAAAwIGACgAAAAD BAcAaAAAAAMCAQYAKAAAAAMEEAAoAAAAAwIHAGgAAAADAgEGQCgAAAADBAdA KAAAAAMDBkBoAAAAAwMBB0AoAAAAAwMHQDgAAAADAQMGQCgAAAADBAZAaAAA AAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAASgC AQIgAgMgAwQoAgMFIAUGIAYHaAwHCGgMCAloDAkKaAwBCyALDGgMDA1oDA0O aAwOD2gMDxBoDAoGaAwQC2gMQgIAAAAFBwYKCQgGDA0ODxALFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:28Z</structure-indexed-at> </compound>