3-(4-propan-2-ylphenyl)sulfanylpentanenitrile

Systemtic Name: 3-(4-propan-2-ylphenyl)sulfanylpentanenitrile Openeye Name: 3-(4-isopropylphenyl)sulfanylpentanenitrile CAS Name: 3-[(4-propan-2-ylphenyl)thio]pentanenitrile IUPAC Name: 3-(4-propan-2-ylphenyl)sulfanylpentanenitrile Traditional Name: 3-(p-cumenylthio)valeronitrile Formula: C14H19NS MolecularWeight: 233.37236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NS/c1-4-13(9-10-15)16-14-7-5-12(6-8-14)11(2)3/h5-8,11,13H,4,9H2,1-3H3