4-[[5-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-methylsulfanyl-benzenecarbonitrile dihydrochloride

Systemtic Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-methylsulfanyl-benzenecarbonitrile dihydrochloride Openeye Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-methylsulfanyl-benzonitrile dihydrochloride CAS Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]-2-(methylthio)benzonitrile dihydrochloride IUPAC Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-methylsulfanylbenzonitrile dihydrochloride Traditional Name: 4-[[5-[[4-(3-chlorophenyl)-3-keto-piperazino]methyl]imidazol-1-yl]methyl]-2-(methylthio)benzonitrile dihydrochloride Formula: C23H24Cl3N5OS MolecularWeight: 524.89356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)CN2C=NC=C2CN3CCN(C(=O)C3)C4=CC(=CC=C4)Cl)C#N.Cl.Cl

Isomeric SMILES

CSC1=C(C=CC(=C1)CN2C=NC=C2CN3CCN(C(=O)C3)C4=CC(=CC=C4)Cl)C#N.Cl.Cl

InChI

InChI=1S/C23H22ClN5OS.2ClH/c1-31-22-9-17(5-6-18(22)11-25)13-28-16-26-12-21(28)14-27-7-8-29(23(30)15-27)20-4-2-3-19(24)10-20;;/h2-6,9-10,12,16H,7-8,13-15H2,1H3;2*1H