5-(benzamidomethyl)-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(benzamidomethyl)-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-(benzamidomethyl)-1H-1,2,4-triazole-3-thiolate CAS Name: 5-(benzamidomethyl)-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-(benzamidomethyl)-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-(benzamidomethyl)-1H-1,2,4-triazole-3-thiolate Formula: C10H9N4OS- MolecularWeight: 233.26966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=NC(=NN2)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=NC(=NN2)[S-]

InChI

InChI=1S/C10H10N4OS/c15-9(7-4-2-1-3-5-7)11-6-8-12-10(16)14-13-8/h1-5H,6H2,(H,11,15)(H2,12,13,14,16)/p-1