3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: 3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C19H17F3N4O2S MolecularWeight: 422.42409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H17F3N4O2S/c1-12-9-15(19(20,21)22)14(10-23)17(25-12)29-8-7-16(27)26-18(28)24-11-13-5-3-2-4-6-13/h2-6,9H,7-8,11H2,1H3,(H2,24,26,27,28)