4-(2,4-dimethylphenyl)sulfanylbutanenitrile

Systemtic Name: 4-(2,4-dimethylphenyl)sulfanylbutanenitrile Openeye Name: 4-(2,4-dimethylphenyl)sulfanylbutanenitrile CAS Name: 4-[(2,4-dimethylphenyl)thio]butanenitrile IUPAC Name: 4-(2,4-dimethylphenyl)sulfanylbutanenitrile Traditional Name: 4-[(2,4-dimethylphenyl)thio]butyronitrile Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCCCC#N)C

InChI

InChI=1S/C12H15NS/c1-10-5-6-12(11(2)9-10)14-8-4-3-7-13/h5-6,9H,3-4,8H2,1-2H3