2-(3-oxidanylidenecyclopentyl)-2-phenylsulfanyl-ethanenitrile

Systemtic Name: 2-(3-oxidanylidenecyclopentyl)-2-phenylsulfanyl-ethanenitrile Openeye Name: 2-(3-oxocyclopentyl)-2-phenylsulfanyl-acetonitrile CAS Name: 2-(3-oxocyclopentyl)-2-(phenylthio)acetonitrile IUPAC Name: 2-(3-oxocyclopentyl)-2-phenylsulfanylacetonitrile Traditional Name: 2-(3-ketocyclopentyl)-2-(phenylthio)acetonitrile Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC1C(C#N)SC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)CC1C(C#N)SC2=CC=CC=C2

InChI

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