5-ethanoyl-6-methyl-2-sulfanyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-sulfanyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-sulfanyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-mercapto-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-sulfanyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-mercapto-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile Formula: C16H13F3N2OS MolecularWeight: 338.34743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC=CC=C2C(F)(F)F)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CC=CC=C2C(F)(F)F)C(=O)C

InChI

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