4-(2-oxidanylidenecyclohexyl)-4-phenylsulfanyl-butanenitrile

Systemtic Name: 4-(2-oxidanylidenecyclohexyl)-4-phenylsulfanyl-butanenitrile Openeye Name: 4-(2-oxocyclohexyl)-4-phenylsulfanyl-butanenitrile CAS Name: 4-(2-oxocyclohexyl)-4-(phenylthio)butanenitrile IUPAC Name: 4-(2-oxocyclohexyl)-4-phenylsulfanylbutanenitrile Traditional Name: 4-(2-ketocyclohexyl)-4-(phenylthio)butyronitrile Formula: C16H19NOS MolecularWeight: 273.39316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(CCC#N)SC2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)C(C1)C(CCC#N)SC2=CC=CC=C2

InChI

InChI=1S/C16H19NOS/c17-12-6-11-16(14-9-4-5-10-15(14)18)19-13-7-2-1-3-8-13/h1-3,7-8,14,16H,4-6,9-11H2