ethyl 5-cyano-2-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(4-nitrophenyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(4-nitrobenzyl)thio]nicotinic acid ethyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O4S/c1-3-24-17(21)15-8-13(9-18)16(19-11(15)2)25-10-12-4-6-14(7-5-12)20(22)23/h4-8H,3,10H2,1-2H3