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

Systemtic Name: methyl 6-[2-[(4-methylphenyl)carbamoylamino]phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 5-nitro-6-[2-(p-tolylcarbamoylamino)phenyl]sulfanyl-pyridine-3-carboxylate CAS Name: 6-[[2-[[(4-methylanilino)-oxomethyl]amino]phenyl]thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[(4-methylphenyl)carbamoylamino]phenyl]sulfanyl-5-nitropyridine-3-carboxylate Traditional Name: 5-nitro-6-[[2-(p-tolylcarbamoylamino)phenyl]thio]nicotinic acid methyl ester Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O5S/c1-13-7-9-15(10-8-13)23-21(27)24-16-5-3-4-6-18(16)31-19-17(25(28)29)11-14(12-22-19)20(26)30-2/h3-12H,1-2H3,(H2,23,24,27)