4-methyl-4-oxidanyl-3-phenylsulfanyl-hex-2-enenitrile

Systemtic Name: 4-methyl-4-oxidanyl-3-phenylsulfanyl-hex-2-enenitrile Openeye Name: 4-hydroxy-4-methyl-3-phenylsulfanyl-hex-2-enenitrile CAS Name: 4-hydroxy-4-methyl-3-(phenylthio)-2-hexenenitrile IUPAC Name: 4-hydroxy-4-methyl-3-phenylsulfanylhex-2-enenitrile Traditional Name: 4-hydroxy-4-methyl-3-(phenylthio)hex-2-enenitrile Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=CC#N)SC1=CC=CC=C1)O

Isomeric SMILES

CCC(C)(C(=CC#N)SC1=CC=CC=C1)O

InChI

InChI=1S/C13H15NOS/c1-3-13(2,15)12(9-10-14)16-11-7-5-4-6-8-11/h4-9,15H,3H2,1-2H3