4-methyl-3-oxidanyl-4-phenylsulfanyl-pentanenitrile

Systemtic Name: 4-methyl-3-oxidanyl-4-phenylsulfanyl-pentanenitrile Openeye Name: 3-hydroxy-4-methyl-4-phenylsulfanyl-pentanenitrile CAS Name: 3-hydroxy-4-methyl-4-(phenylthio)pentanenitrile IUPAC Name: 3-hydroxy-4-methyl-4-phenylsulfanylpentanenitrile Traditional Name: 3-hydroxy-4-methyl-4-(phenylthio)valeronitrile Formula: C12H15NOS MolecularWeight: 221.3186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NOS/c1-12(2,11(14)8-9-13)15-10-6-4-3-5-7-10/h3-7,11,14H,8H2,1-2H3