4-[(2-methylphenyl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(2-methylphenyl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-(o-tolylsulfanylmethyl)benzonitrile CAS Name: 4-[[(2-methylphenyl)thio]methyl]benzonitrile IUPAC Name: 4-[(2-methylphenyl)sulfanylmethyl]benzonitrile Traditional Name: 4-[(o-tolylthio)methyl]benzonitrile Formula: C15H13NS MolecularWeight: 239.33542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=CC=C1SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H13NS/c1-12-4-2-3-5-15(12)17-11-14-8-6-13(10-16)7-9-14/h2-9H,11H2,1H3