4-[[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-chloro-5-(methylthio)benzoyl]piperazino]methyl]benzonitrile Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20ClN3OS/c1-26-17-6-7-19(21)18(12-17)20(25)24-10-8-23(9-11-24)14-16-4-2-15(13-22)3-5-16/h2-7,12H,8-11,14H2,1H3