1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(p-tolylsulfanyl)propan-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(p-tolylthio)propan-1-one Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16O3S/c1-12-2-5-14(6-3-12)21-9-8-15(18)13-4-7-16-17(10-13)20-11-19-16/h2-7,10H,8-9,11H2,1H3