3-[(4-methylphenyl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-(p-tolylsulfanylmethyl)benzonitrile CAS Name: 3-[[(4-methylphenyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]benzonitrile Traditional Name: 3-[(p-tolylthio)methyl]benzonitrile Formula: C15H13NS MolecularWeight: 239.33542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=CC(=C2)C#N

InChI

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