5-bromanyl-6-[(4-methylphenyl)sulfanylmethyl]-1,3-benzodioxole

Systemtic Name: 5-bromanyl-6-[(4-methylphenyl)sulfanylmethyl]-1,3-benzodioxole Openeye Name: 5-bromo-6-(p-tolylsulfanylmethyl)-1,3-benzodioxole CAS Name: 5-bromo-6-[[(4-methylphenyl)thio]methyl]-1,3-benzodioxole IUPAC Name: 5-bromo-6-[(4-methylphenyl)sulfanylmethyl]-1,3-benzodioxole Traditional Name: 5-bromo-6-[(p-tolylthio)methyl]-1,3-benzodioxole Formula: C15H13BrO2S MolecularWeight: 337.23152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C15H13BrO2S/c1-10-2-4-12(5-3-10)19-8-11-6-14-15(7-13(11)16)18-9-17-14/h2-7H,8-9H2,1H3