2-(1-oxidanyl-2-phenylsulfanyl-cyclopent-2-en-1-yl)ethanenitrile

Systemtic Name: 2-(1-oxidanyl-2-phenylsulfanyl-cyclopent-2-en-1-yl)ethanenitrile Openeye Name: 2-(1-hydroxy-2-phenylsulfanyl-cyclopent-2-en-1-yl)acetonitrile CAS Name: 2-[1-hydroxy-2-(phenylthio)-1-cyclopent-2-enyl]acetonitrile IUPAC Name: 2-(1-hydroxy-2-phenylsulfanylcyclopent-2-en-1-yl)acetonitrile Traditional Name: 2-[1-hydroxy-2-(phenylthio)cyclopent-2-en-1-yl]acetonitrile Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=C1)SC2=CC=CC=C2)(CC#N)O

Isomeric SMILES

C1CC(C(=C1)SC2=CC=CC=C2)(CC#N)O

InChI

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