2-(4-methylsulfanylphenyl)-2-piperazin-1-yl-ethanenitrile

Systemtic Name: 2-(4-methylsulfanylphenyl)-2-piperazin-1-yl-ethanenitrile Openeye Name: 2-(4-methylsulfanylphenyl)-2-piperazin-1-yl-acetonitrile CAS Name: 2-[4-(methylthio)phenyl]-2-(1-piperazinyl)acetonitrile IUPAC Name: 2-(4-methylsulfanylphenyl)-2-piperazin-1-ylacetonitrile Traditional Name: 2-[4-(methylthio)phenyl]-2-piperazino-acetonitrile Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C#N)N2CCNCC2

Isomeric SMILES

CSC1=CC=C(C=C1)C(C#N)N2CCNCC2

InChI

InChI=1S/C13H17N3S/c1-17-12-4-2-11(3-5-12)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-9H2,1H3