1-(3-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

Systemtic Name: 1-(3-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one Openeye Name: 3,3-bis(methylsulfanyl)-1-(m-tolyl)prop-2-en-1-one CAS Name: 1-(3-methylphenyl)-3,3-bis(methylthio)-2-propen-1-one IUPAC Name: 1-(3-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one Traditional Name: 3,3-bis(methylthio)-1-(m-tolyl)prop-2-en-1-one Formula: C12H14OS2 MolecularWeight: 238.36896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C=C(SC)SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C=C(SC)SC

InChI

InChI=1S/C12H14OS2/c1-9-5-4-6-10(7-9)11(13)8-12(14-2)15-3/h4-8H,1-3H3