2-[2-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]ethanenitrile

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]ethanenitrile Openeye Name: 2-[2-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]acetonitrile CAS Name: 2-[2-[[(2,5-dimethylphenyl)thio]methyl]phenyl]acetonitrile IUPAC Name: 2-[2-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]acetonitrile Traditional Name: 2-[2-[[(2,5-dimethylphenyl)thio]methyl]phenyl]acetonitrile Formula: C17H17NS MolecularWeight: 267.38858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=CC=CC=C2CC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=CC=CC=C2CC#N

InChI

InChI=1S/C17H17NS/c1-13-7-8-14(2)17(11-13)19-12-16-6-4-3-5-15(16)9-10-18/h3-8,11H,9,12H2,1-2H3