4-[(E)-3-methyl-4-methylsulfanyl-1-oxidanyl-but-3-enyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NOS/c1-10(9-16-2)7-13(15)12-5-3-11(8-14)4-6-12/h3-6,9,13,15H,7H2,1-2H3/b10-9+