3-(4-methylphenyl)sulfanylpentanenitrile

Systemtic Name: 3-(4-methylphenyl)sulfanylpentanenitrile Openeye Name: 3-(p-tolylsulfanyl)pentanenitrile CAS Name: 3-[(4-methylphenyl)thio]pentanenitrile IUPAC Name: 3-(4-methylphenyl)sulfanylpentanenitrile Traditional Name: 3-(p-tolylthio)valeronitrile Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=CC=C(C=C1)C

Isomeric SMILES

CCC(CC#N)SC1=CC=C(C=C1)C

InChI

InChI=1S/C12H15NS/c1-3-11(8-9-13)14-12-6-4-10(2)5-7-12/h4-7,11H,3,8H2,1-2H3