3-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]propanenitrile hydrochloride

Systemtic Name: 3-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]propanenitrile hydrochloride Openeye Name: 3-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]propanenitrile hydrochloride CAS Name: 3-[4-[3-(trifluoromethylthio)phenyl]-1-piperazinyl]propanenitrile hydrochloride IUPAC Name: 3-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]propanenitrile hydrochloride Traditional Name: 3-[4-[3-(trifluoromethylthio)phenyl]piperazino]propionitrile hydrochloride Formula: C14H17ClF3N3S MolecularWeight: 351.81809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=CC(=CC=C2)SC(F)(F)F.Cl

Isomeric SMILES

C1CN(CCN1CCC#N)C2=CC(=CC=C2)SC(F)(F)F.Cl

InChI

InChI=1S/C14H16F3N3S.ClH/c15-14(16,17)21-13-4-1-3-12(11-13)20-9-7-19(8-10-20)6-2-5-18;/h1,3-4,11H,2,6-10H2;1H