(3-nitrophenyl) 2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-(o-tolylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(2-methylphenyl)methylthio]-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(2-methylbenzyl)thio]nicotinic acid (3-nitrophenyl) ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O4S/c1-14-6-2-3-7-15(14)13-27-19-18(10-5-11-21-19)20(23)26-17-9-4-8-16(12-17)22(24)25/h2-12H,13H2,1H3