2-(2-piperidin-1-ylethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(2-piperidin-1-ylethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1-piperidyl)ethylsulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[2-(1-piperidinyl)ethylthio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2-piperidin-1-ylethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(2-piperidinoethylthio)-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C18H18F3N3S2 MolecularWeight: 397.48083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

C1CCN(CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C18H18F3N3S2/c19-18(20,21)14-11-15(16-5-4-9-25-16)23-17(13(14)12-22)26-10-8-24-6-2-1-3-7-24/h4-5,9,11H,1-3,6-8,10H2