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

Systemtic Name: 4-[[4-[2-(4-methylphenyl)sulfanylethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(p-tolylsulfanyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-[(4-methylphenyl)thio]-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(p-tolylthio)acetyl]piperazino]methyl]benzonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-17-2-8-20(9-3-17)26-16-21(25)24-12-10-23(11-13-24)15-19-6-4-18(14-22)5-7-19/h2-9H,10-13,15-16H2,1H3