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

Systemtic Name: 2-(4-methylsulfanylphenyl)-2-piperazin-1-yl-propanenitrile Openeye Name: 2-(4-methylsulfanylphenyl)-2-piperazin-1-yl-propanenitrile CAS Name: 2-[4-(methylthio)phenyl]-2-(1-piperazinyl)propanenitrile IUPAC Name: 2-(4-methylsulfanylphenyl)-2-piperazin-1-ylpropanenitrile Traditional Name: 2-[4-(methylthio)phenyl]-2-piperazino-propionitrile Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3S/c1-14(11-15,17-9-7-16-8-10-17)12-3-5-13(18-2)6-4-12/h3-6,16H,7-10H2,1-2H3