4-[[4-[2-[(4-methylphenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(4-methylphenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(p-tolylmethylsulfanyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-[(4-methylphenyl)methylthio]-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(4-methylbenzyl)thio]acetyl]piperazino]methyl]benzonitrile Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3OS/c1-18-2-4-21(5-3-18)16-27-17-22(26)25-12-10-24(11-13-25)15-20-8-6-19(14-23)7-9-20/h2-9H,10-13,15-17H2,1H3