4-(3,4-dimethylphenyl)sulfanylbutanenitrile

Systemtic Name: 4-(3,4-dimethylphenyl)sulfanylbutanenitrile Openeye Name: 4-(3,4-dimethylphenyl)sulfanylbutanenitrile CAS Name: 4-[(3,4-dimethylphenyl)thio]butanenitrile IUPAC Name: 4-(3,4-dimethylphenyl)sulfanylbutanenitrile Traditional Name: 4-[(3,4-dimethylphenyl)thio]butyronitrile Formula: C12H15NS MolecularWeight: 205.3192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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