ethyl 6-(2-benzamidophenyl)sulfanyl-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-benzamidophenyl)sulfanyl-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-(2-benzamidophenyl)sulfanyl-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-[(2-benzamidophenyl)thio]-5-cyano-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-benzamidophenyl)sulfanyl-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[(2-benzamidophenyl)thio]-5-cyano-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C23H16F3N3O3S MolecularWeight: 471.45165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC=C2NC(=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=CC=C2NC(=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H16F3N3O3S/c1-2-32-22(31)16-12-15(13-27)21(29-19(16)23(24,25)26)33-18-11-7-6-10-17(18)28-20(30)14-8-4-3-5-9-14/h3-12H,2H2,1H3,(H,28,30)