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

Systemtic Name: 4-(2-methoxyphenyl)-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-methoxyphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methoxyphenyl)-5-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methoxyphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-methoxyphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C17H14N5O4S- MolecularWeight: 384.38916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2[S-])CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2[S-])CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-26-14-5-3-2-4-13(14)21-15(19-20-17(21)27)10-18-16(23)11-6-8-12(9-7-11)22(24)25/h2-9H,10H2,1H3,(H,18,23)(H,20,27)/p-1