4-methylsulfanyl-3-oxidanyl-4-phenyl-butanenitrile

Systemtic Name: 4-methylsulfanyl-3-oxidanyl-4-phenyl-butanenitrile Openeye Name: 3-hydroxy-4-methylsulfanyl-4-phenyl-butanenitrile CAS Name: 3-hydroxy-4-(methylthio)-4-phenylbutanenitrile IUPAC Name: 3-hydroxy-4-methylsulfanyl-4-phenylbutanenitrile Traditional Name: 3-hydroxy-4-(methylthio)-4-phenyl-butyronitrile Formula: C11H13NOS MolecularWeight: 207.29202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NOS/c1-14-11(10(13)7-8-12)9-5-3-2-4-6-9/h2-6,10-11,13H,7H2,1H3