4-(3-methylphenyl)-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-methylphenyl)-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(m-tolyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-methylphenyl)-5-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-methylphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(m-tolyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C17H14N5O3S- MolecularWeight: 368.38976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c1-11-3-2-4-14(9-11)21-15(19-20-17(21)26)10-18-16(23)12-5-7-13(8-6-12)22(24)25/h2-9H,10H2,1H3,(H,18,23)(H,20,26)/p-1