(4R)-3-ethanoyl-2-methyl-6-sulfanyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-3-ethanoyl-2-methyl-6-sulfanyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-2-methyl-6-sulfanyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-6-mercapto-2-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-2-methyl-6-sulfanyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-mercapto-2-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonitrile Formula: C16H13F3N2OS MolecularWeight: 338.34743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC(=CC=C2)C(F)(F)F)C#N)S

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC(=CC=C2)C(F)(F)F)C#N)S

InChI

InChI=1S/C16H13F3N2OS/c1-8-13(9(2)22)14(12(7-20)15(23)21-8)10-4-3-5-11(6-10)16(17,18)19/h3-6,13-14,23H,1-2H3/t13?,14-/m1/s1