4-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-piperidine-4-carbonitrile hydrochloride

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-piperidine-4-carbonitrile hydrochloride Openeye Name: 4-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-piperidine-4-carbonitrile hydrochloride CAS Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-1-methyl-4-piperidinecarbonitrile hydrochloride IUPAC Name: 4-[2-(4-chlorophenyl)sulfanylphenyl]-1-methylpiperidine-4-carbonitrile hydrochloride Traditional Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-1-methyl-isonipecotonitrile hydrochloride Formula: C19H20Cl2N2S MolecularWeight: 379.3465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#N)C2=CC=CC=C2SC3=CC=C(C=C3)Cl.Cl

Isomeric SMILES

CN1CCC(CC1)(C#N)C2=CC=CC=C2SC3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C19H19ClN2S.ClH/c1-22-12-10-19(14-21,11-13-22)17-4-2-3-5-18(17)23-16-8-6-15(20)7-9-16;/h2-9H,10-13H2,1H3;1H