4-(4-methylsulfanyl-1-oxidanyl-3-oxidanylidene-butyl)benzenecarbonitrile

Systemtic Name: 4-(4-methylsulfanyl-1-oxidanyl-3-oxidanylidene-butyl)benzenecarbonitrile Openeye Name: 4-(1-hydroxy-4-methylsulfanyl-3-oxo-butyl)benzonitrile CAS Name: 4-[1-hydroxy-4-(methylthio)-3-oxobutyl]benzonitrile IUPAC Name: 4-(1-hydroxy-4-methylsulfanyl-3-oxobutyl)benzonitrile Traditional Name: 4-[1-hydroxy-3-keto-4-(methylthio)butyl]benzonitrile Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2S/c1-16-8-11(14)6-12(15)10-4-2-9(7-13)3-5-10/h2-5,12,15H,6,8H2,1H3