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

Systemtic Name: 4-[[1-[(4-cyanophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[1-[(4-cyanophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-[(4-cyanophenyl)methylthio]-2-(1-imidazolyl)ethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[1-[(4-cyanophenyl)methylsulfanyl]-2-imidazol-1-ylethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[1-[(4-cyanobenzyl)thio]-2-imidazol-1-yl-ethyl]thio]methyl]benzonitrile Formula: C21H18N4S2 MolecularWeight: 390.52442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4S2/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