6-methyl-2-(naphthalen-1-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-(naphthalen-1-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-(1-naphthylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-(1-naphthalenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-(naphthalen-1-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-methyl-2-(1-naphthylmethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C19H13F3N2S MolecularWeight: 358.38013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C19H13F3N2S/c1-12-9-17(19(20,21)22)16(10-23)18(24-12)25-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-9H,11H2,1H3