5-(4-methylsulfanylphenyl)-6-(phenylmethyl)-1,3-benzodioxole

Systemtic Name: 5-(4-methylsulfanylphenyl)-6-(phenylmethyl)-1,3-benzodioxole Openeye Name: 5-benzyl-6-(4-methylsulfanylphenyl)-1,3-benzodioxole CAS Name: 5-[4-(methylthio)phenyl]-6-(phenylmethyl)-1,3-benzodioxole IUPAC Name: 5-benzyl-6-(4-methylsulfanylphenyl)-1,3-benzodioxole Traditional Name: 5-benzyl-6-[4-(methylthio)phenyl]-1,3-benzodioxole Formula: C21H18O2S MolecularWeight: 334.43142

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3=C(C=C2CC4=CC=CC=C4)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3=C(C=C2CC4=CC=CC=C4)OCO3

InChI

InChI=1S/C21H18O2S/c1-24-18-9-7-16(8-10-18)19-13-21-20(22-14-23-21)12-17(19)11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3