4-methyl-4-(phenylmethylsulfanyl)pentanenitrile

Systemtic Name: 4-methyl-4-(phenylmethylsulfanyl)pentanenitrile Openeye Name: 4-benzylsulfanyl-4-methyl-pentanenitrile CAS Name: 4-methyl-4-(phenylmethylthio)pentanenitrile IUPAC Name: 4-benzylsulfanyl-4-methylpentanenitrile Traditional Name: 4-(benzylthio)-4-methyl-valeronitrile Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)(CCC#N)SCC1=CC=CC=C1

InChI

InChI=1S/C13H17NS/c1-13(2,9-6-10-14)15-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9,11H2,1-2H3