ethyl 5-cyano-2-phenyl-6-phenylsulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-phenyl-6-phenylsulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-phenyl-6-phenylsulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-(phenylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-phenylsulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-phenyl-6-(phenylthio)nicotinic acid ethyl ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O2S/c1-2-25-21(24)18-13-16(14-22)20(26-17-11-7-4-8-12-17)23-19(18)15-9-5-3-6-10-15/h3-13H,2H2,1H3