2-(cyclopropylmethylsulfanyl)-4-[5-(trifluoromethyl)pyridin-2-yl]benzenecarbonitrile

Systemtic Name: 2-(cyclopropylmethylsulfanyl)-4-[5-(trifluoromethyl)pyridin-2-yl]benzenecarbonitrile Openeye Name: 2-(cyclopropylmethylsulfanyl)-4-[5-(trifluoromethyl)-2-pyridyl]benzonitrile CAS Name: 2-(cyclopropylmethylthio)-4-[5-(trifluoromethyl)-2-pyridinyl]benzonitrile IUPAC Name: 2-(cyclopropylmethylsulfanyl)-4-[5-(trifluoromethyl)pyridin-2-yl]benzonitrile Traditional Name: 2-(cyclopropylmethylthio)-4-[5-(trifluoromethyl)-2-pyridyl]benzonitrile Formula: C17H13F3N2S MolecularWeight: 334.35873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CSC2=C(C=CC(=C2)C3=NC=C(C=C3)C(F)(F)F)C#N

Isomeric SMILES

C1CC1CSC2=C(C=CC(=C2)C3=NC=C(C=C3)C(F)(F)F)C#N

InChI

InChI=1S/C17H13F3N2S/c18-17(19,20)14-5-6-15(22-9-14)12-3-4-13(8-21)16(7-12)23-10-11-1-2-11/h3-7,9,11H,1-2,10H2