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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(4-phenylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(4-phenylphenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(4-phenylphenyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(4-phenylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(4-phenylbenzyl)thio]nicotinic acid ethyl ester Formula: C23H20N2O2S MolecularWeight: 388.4821

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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)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=C(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H20N2O2S/c1-3-27-23(26)21-13-20(14-24)22(25-16(21)2)28-15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-13H,3,15H2,1-2H3