4-[[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(m-tolylmethylsulfanyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-[(3-methylphenyl)methylthio]-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(3-methylbenzyl)thio]acetyl]piperazino]methyl]benzonitrile Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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