(Z)-4-(2-methylphenyl)-4-sulfanyl-but-3-en-2-one

Systemtic Name: (Z)-4-(2-methylphenyl)-4-sulfanyl-but-3-en-2-one Openeye Name: (Z)-4-(o-tolyl)-4-sulfanyl-but-3-en-2-one CAS Name: (Z)-4-mercapto-4-(2-methylphenyl)-3-buten-2-one IUPAC Name: (Z)-4-(2-methylphenyl)-4-sulfanylbut-3-en-2-one Traditional Name: (Z)-4-mercapto-4-(o-tolyl)but-3-en-2-one Formula: C11H12OS MolecularWeight: 192.27738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CC(=O)C)S

Isomeric SMILES

CC1=CC=CC=C1/C(=C/C(=O)C)/S

InChI

InChI=1S/C11H12OS/c1-8-5-3-4-6-10(8)11(13)7-9(2)12/h3-7,13H,1-2H3/b11-7-