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

Systemtic Name: 4-(2-chlorophenyl)-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-chlorophenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2-chlorophenyl)-5-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-chlorophenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-chlorophenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C16H11ClN5O3S- MolecularWeight: 388.80824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O3S/c17-12-3-1-2-4-13(12)21-14(19-20-16(21)26)9-18-15(23)10-5-7-11(8-6-10)22(24)25/h1-8H,9H2,(H,18,23)(H,20,26)/p-1