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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)sulfanyl-propan-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)sulfanyl-propan-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-bromophenyl)thio]-1-propanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)sulfanylpropan-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-bromophenyl)thio]propan-1-one Formula: C16H13BrO3S MolecularWeight: 365.24162

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CCSC3=CC=C(C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrO3S/c17-12-2-4-13(5-3-12)21-8-7-14(18)11-1-6-15-16(9-11)20-10-19-15/h1-6,9H,7-8,10H2