4-methyl-4-oxidanyl-3-(phenylmethylsulfanyl)pent-2-enenitrile

Systemtic Name: 4-methyl-4-oxidanyl-3-(phenylmethylsulfanyl)pent-2-enenitrile Openeye Name: 3-benzylsulfanyl-4-hydroxy-4-methyl-pent-2-enenitrile CAS Name: 4-hydroxy-4-methyl-3-(phenylmethylthio)-2-pentenenitrile IUPAC Name: 3-benzylsulfanyl-4-hydroxy-4-methylpent-2-enenitrile Traditional Name: 3-(benzylthio)-4-hydroxy-4-methyl-pent-2-enenitrile Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=CC#N)SCC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(C(=CC#N)SCC1=CC=CC=C1)O

InChI

InChI=1S/C13H15NOS/c1-13(2,15)12(8-9-14)16-10-11-6-4-3-5-7-11/h3-8,15H,10H2,1-2H3