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

Systemtic Name: 5-ethanoyl-6-methyl-2-sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile; morpholine Openeye Name: 5-acetyl-6-methyl-2-sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile; morpholine CAS Name: 5-acetyl-2-mercapto-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile; morpholine IUPAC Name: 5-acetyl-6-methyl-2-sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile; morpholine Traditional Name: 5-acetyl-2-mercapto-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carbonitrile; morpholine Formula: C20H22F3N3O2S MolecularWeight: 425.46779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC(=CC=C2)C(F)(F)F)C(=O)C.C1COCCN1

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CC(=CC=C2)C(F)(F)F)C(=O)C.C1COCCN1

InChI

InChI=1S/C16H13F3N2OS.C4H9NO/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;1-3-6-4-2-5-1/h3-6,14,21,23H,1-2H3;5H,1-4H2