4-[[1-[(4-cyanophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[1-[(4-cyanophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[1-[(4-cyanophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]benzonitrile hydrochloride CAS Name: 4-[[[1-[(4-cyanophenyl)methylthio]-2-(1-imidazolyl)ethyl]thio]methyl]benzonitrile hydrochloride IUPAC Name: 4-[[1-[(4-cyanophenyl)methylsulfanyl]-2-imidazol-1-ylethyl]sulfanylmethyl]benzonitrile hydrochloride Traditional Name: 4-[[[1-[(4-cyanobenzyl)thio]-2-imidazol-1-yl-ethyl]thio]methyl]benzonitrile hydrochloride Formula: C21H19ClN4S2 MolecularWeight: 426.98536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)C#N)C#N.Cl

Isomeric SMILES

C1=CC(=CC=C1CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)C#N)C#N.Cl

InChI

InChI=1S/C21H18N4S2.ClH/c22-11-17-1-5-19(6-2-17)14-26-21(13-25-10-9-24-16-25)27-15-20-7-3-18(12-23)4-8-20;/h1-10,16,21H,13-15H2;1H