3-[4-(3-methylbutylsulfanyl)phenyl]-3-oxidanyl-propanenitrile

Systemtic Name: 3-[4-(3-methylbutylsulfanyl)phenyl]-3-oxidanyl-propanenitrile Openeye Name: 3-hydroxy-3-(4-isopentylsulfanylphenyl)propanenitrile CAS Name: 3-hydroxy-3-[4-(3-methylbutylthio)phenyl]propanenitrile IUPAC Name: 3-hydroxy-3-[4-(3-methylbutylsulfanyl)phenyl]propanenitrile Traditional Name: 3-hydroxy-3-[4-(isoamylthio)phenyl]propionitrile Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)C(CC#N)O

Isomeric SMILES

CC(C)CCSC1=CC=C(C=C1)C(CC#N)O

InChI

InChI=1S/C14H19NOS/c1-11(2)8-10-17-13-5-3-12(4-6-13)14(16)7-9-15/h3-6,11,14,16H,7-8,10H2,1-2H3