3-(2,5-dimethylphenyl)sulfanylpentanenitrile

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanylpentanenitrile Openeye Name: 3-(2,5-dimethylphenyl)sulfanylpentanenitrile CAS Name: 3-[(2,5-dimethylphenyl)thio]pentanenitrile IUPAC Name: 3-(2,5-dimethylphenyl)sulfanylpentanenitrile Traditional Name: 3-[(2,5-dimethylphenyl)thio]valeronitrile Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NS/c1-4-12(7-8-14)15-13-9-10(2)5-6-11(13)3/h5-6,9,12H,4,7H2,1-3H3