4,4-dimethyl-3-phenylsulfanyl-pentanenitrile

Systemtic Name: 4,4-dimethyl-3-phenylsulfanyl-pentanenitrile Openeye Name: 4,4-dimethyl-3-phenylsulfanyl-pentanenitrile CAS Name: 4,4-dimethyl-3-(phenylthio)pentanenitrile IUPAC Name: 4,4-dimethyl-3-phenylsulfanylpentanenitrile Traditional Name: 4,4-dimethyl-3-(phenylthio)valeronitrile Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC#N)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(CC#N)SC1=CC=CC=C1

InChI

InChI=1S/C13H17NS/c1-13(2,3)12(9-10-14)15-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3