methyl 6-(4-methylphenyl)sulfanyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: methyl 6-(4-methylphenyl)sulfanyl-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 5-nitro-6-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-methylphenyl)sulfanyl-5-nitropyridine-3-carboxylate Traditional Name: 5-nitro-6-(p-tolylthio)nicotinic acid methyl ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=N2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=N2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4S/c1-9-3-5-11(6-4-9)21-13-12(16(18)19)7-10(8-15-13)14(17)20-2/h3-8H,1-2H3