6-methyl-2-phenacylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-phenacylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-phenacylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-(phenacylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-phenacylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-methyl-2-(phenacylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C16H11F3N2OS MolecularWeight: 336.33155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N2OS/c1-10-7-13(16(17,18)19)12(8-20)15(21-10)23-9-14(22)11-5-3-2-4-6-11/h2-7H,9H2,1H3