2-(3-oxidanylidene-2-phenylsulfanyl-cyclopentyl)ethanenitrile

Systemtic Name: 2-(3-oxidanylidene-2-phenylsulfanyl-cyclopentyl)ethanenitrile Openeye Name: 2-(3-oxo-2-phenylsulfanyl-cyclopentyl)acetonitrile CAS Name: 2-[3-oxo-2-(phenylthio)cyclopentyl]acetonitrile IUPAC Name: 2-(3-oxo-2-phenylsulfanylcyclopentyl)acetonitrile Traditional Name: 2-[3-keto-2-(phenylthio)cyclopentyl]acetonitrile Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1CC#N)SC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)C(C1CC#N)SC2=CC=CC=C2

InChI

InChI=1S/C13H13NOS/c14-9-8-10-6-7-12(15)13(10)16-11-4-2-1-3-5-11/h1-5,10,13H,6-8H2