2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanenitrile hydrochloride

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanenitrile hydrochloride Openeye Name: 2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanenitrile hydrochloride CAS Name: 2-[2-[(4-chlorophenyl)thio]phenyl]-4-(dimethylamino)butanenitrile hydrochloride IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanenitrile hydrochloride Traditional Name: 2-[2-[(4-chlorophenyl)thio]phenyl]-4-(dimethylamino)butyronitrile hydrochloride Formula: C18H20Cl2N2S MolecularWeight: 367.3358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C#N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl.Cl

Isomeric SMILES

CN(C)CCC(C#N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl.Cl

InChI

InChI=1S/C18H19ClN2S.ClH/c1-21(2)12-11-14(13-20)17-5-3-4-6-18(17)22-16-9-7-15(19)8-10-16;/h3-10,14H,11-12H2,1-2H3;1H