methyl 6-[2-[(4-methylphenyl)carbonylamino]phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[(4-methylphenyl)carbonylamino]phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 6-[2-[(4-methylbenzoyl)amino]phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate CAS Name: 6-[[2-[[(4-methylphenyl)-oxomethyl]amino]phenyl]thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[(4-methylbenzoyl)amino]phenyl]sulfanyl-5-nitropyridine-3-carboxylate Traditional Name: 5-nitro-6-[[2-(p-toluoylamino)phenyl]thio]nicotinic acid methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=C(C=C(C=N3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=C(C=C(C=N3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-13-7-9-14(10-8-13)19(25)23-16-5-3-4-6-18(16)30-20-17(24(27)28)11-15(12-22-20)21(26)29-2/h3-12H,1-2H3,(H,23,25)