4-[[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C23H23N5OS MolecularWeight: 417.52662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23N5OS/c1-30-23-25-16-21(28(23)20-5-3-2-4-6-20)22(29)27-13-11-26(12-14-27)17-19-9-7-18(15-24)8-10-19/h2-10,16H,11-14,17H2,1H3