4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(methylthio)benzyl]piperazino]methyl]benzonitrile Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N3S/c1-24-20-8-6-19(7-9-20)16-23-12-10-22(11-13-23)15-18-4-2-17(14-21)3-5-18/h2-9H,10-13,15-16H2,1H3