methyl 6-[[4-(4-chlorophenyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-(4-chlorophenyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 6-[[4-(4-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine-3-carboxylate CAS Name: 6-[[4-(4-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[4-(4-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine-3-carboxylate Traditional Name: 6-[[4-(4-chlorophenyl)-5-keto-1H-1,2,4-triazol-3-yl]thio]-5-nitro-nicotinic acid methyl ester Formula: C15H10ClN5O5S MolecularWeight: 407.7884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)SC2=NNC(=O)N2C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)SC2=NNC(=O)N2C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H10ClN5O5S/c1-26-13(22)8-6-11(21(24)25)12(17-7-8)27-15-19-18-14(23)20(15)10-4-2-9(16)3-5-10/h2-7H,1H3,(H,18,23)