5-[2-(4-methylphenyl)sulfanylpropyl]-1,3-benzodioxole

Systemtic Name: 5-[2-(4-methylphenyl)sulfanylpropyl]-1,3-benzodioxole Openeye Name: 5-[2-(p-tolylsulfanyl)propyl]-1,3-benzodioxole CAS Name: 5-[2-[(4-methylphenyl)thio]propyl]-1,3-benzodioxole IUPAC Name: 5-[2-(4-methylphenyl)sulfanylpropyl]-1,3-benzodioxole Traditional Name: 5-[2-(p-tolylthio)propyl]-1,3-benzodioxole Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18O2S/c1-12-3-6-15(7-4-12)20-13(2)9-14-5-8-16-17(10-14)19-11-18-16/h3-8,10,13H,9,11H2,1-2H3