4-methyl-3-[(phenylmethylsulfanyl)methyl]benzenecarbonitrile

Systemtic Name: 4-methyl-3-[(phenylmethylsulfanyl)methyl]benzenecarbonitrile Openeye Name: 3-(benzylsulfanylmethyl)-4-methyl-benzonitrile CAS Name: 4-methyl-3-[(phenylmethylthio)methyl]benzonitrile IUPAC Name: 3-(benzylsulfanylmethyl)-4-methylbenzonitrile Traditional Name: 3-[(benzylthio)methyl]-4-methyl-benzonitrile Formula: C16H15NS MolecularWeight: 253.362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)CSCC2=CC=CC=C2

InChI

InChI=1S/C16H15NS/c1-13-7-8-15(10-17)9-16(13)12-18-11-14-5-3-2-4-6-14/h2-9H,11-12H2,1H3