5-[(E)-2-(4-methylphenyl)ethenyl]-3-methylsulfanyl-1,2-oxazole

Systemtic Name: 5-[(E)-2-(4-methylphenyl)ethenyl]-3-methylsulfanyl-1,2-oxazole Openeye Name: 3-methylsulfanyl-5-[(E)-2-(p-tolyl)vinyl]isoxazole CAS Name: 5-[(E)-2-(4-methylphenyl)ethenyl]-3-(methylthio)isoxazole IUPAC Name: 5-[(E)-2-(4-methylphenyl)ethenyl]-3-methylsulfanyl-1,2-oxazole Traditional Name: 3-(methylthio)-5-[(E)-2-(p-tolyl)vinyl]isoxazole Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=CC(=NO2)SC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=CC(=NO2)SC

InChI

InChI=1S/C13H13NOS/c1-10-3-5-11(6-4-10)7-8-12-9-13(16-2)14-15-12/h3-9H,1-2H3/b8-7+