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

Systemtic Name: methyl 6-[(4-cyclohexyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 6-[(4-cyclohexyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine-3-carboxylate CAS Name: 6-[(4-cyclohexyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-cyclohexyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine-3-carboxylate Traditional Name: 6-[(4-cyclohexyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-5-nitro-nicotinic acid methyl ester Formula: C15H17N5O5S MolecularWeight: 379.39098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)SC2=NNC(=O)N2C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)SC2=NNC(=O)N2C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O5S/c1-25-13(21)9-7-11(20(23)24)12(16-8-9)26-15-18-17-14(22)19(15)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,22)