4-(2-methyl-3-methylsulfanyl-1-oxidanyl-but-3-enyl)benzenecarbonitrile

Systemtic Name: 4-(2-methyl-3-methylsulfanyl-1-oxidanyl-but-3-enyl)benzenecarbonitrile Openeye Name: 4-(1-hydroxy-2-methyl-3-methylsulfanyl-but-3-enyl)benzonitrile CAS Name: 4-[1-hydroxy-2-methyl-3-(methylthio)but-3-enyl]benzonitrile IUPAC Name: 4-(1-hydroxy-2-methyl-3-methylsulfanylbut-3-enyl)benzonitrile Traditional Name: 4-[1-hydroxy-2-methyl-3-(methylthio)but-3-enyl]benzonitrile Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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