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

Systemtic Name: 4-[[4-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C23H22FN5OS MolecularWeight: 435.517083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN5OS/c1-31-23-26-15-21(29(23)20-8-6-19(24)7-9-20)22(30)28-12-10-27(11-13-28)16-18-4-2-17(14-25)3-5-18/h2-9,15H,10-13,16H2,1H3