3-(3,4-dimethylphenyl)sulfanylpropanenitrile

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanylpropanenitrile Openeye Name: 3-(3,4-dimethylphenyl)sulfanylpropanenitrile CAS Name: 3-[(3,4-dimethylphenyl)thio]propanenitrile IUPAC Name: 3-(3,4-dimethylphenyl)sulfanylpropanenitrile Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionitrile Formula: C11H13NS MolecularWeight: 191.29262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC#N)C

InChI

InChI=1S/C11H13NS/c1-9-4-5-11(8-10(9)2)13-7-3-6-12/h4-5,8H,3,7H2,1-2H3