6-ethanoyl-2-methylsulfanyl-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

Systemtic Name: 6-ethanoyl-2-methylsulfanyl-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Openeye Name: 6-acetyl-2-methylsulfanyl-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile CAS Name: 6-acetyl-2-(methylthio)-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile IUPAC Name: 6-acetyl-2-methylsulfanyl-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Traditional Name: 6-acetyl-2-(methylthio)-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile Formula: C13H12F3N3OS MolecularWeight: 315.31409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C(=C(C(=N2)SC)C#N)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C(=C(C(=N2)SC)C#N)C(F)(F)F

InChI

InChI=1S/C13H12F3N3OS/c1-7(20)19-4-3-10-9(6-19)11(13(14,15)16)8(5-17)12(18-10)21-2/h3-4,6H2,1-2H3