(4-bromanylpyridin-3-yl)-[6-(4-methylsulfanylphenyl)-1,3-benzodioxol-5-yl]methanol

Systemtic Name: (4-bromanylpyridin-3-yl)-[6-(4-methylsulfanylphenyl)-1,3-benzodioxol-5-yl]methanol Openeye Name: (4-bromo-3-pyridyl)-[6-(4-methylsulfanylphenyl)-1,3-benzodioxol-5-yl]methanol CAS Name: (4-bromo-3-pyridinyl)-[6-[4-(methylthio)phenyl]-1,3-benzodioxol-5-yl]methanol IUPAC Name: (4-bromopyridin-3-yl)-[6-(4-methylsulfanylphenyl)-1,3-benzodioxol-5-yl]methanol Traditional Name: (4-bromo-3-pyridyl)-[6-[4-(methylthio)phenyl]-1,3-benzodioxol-5-yl]methanol Formula: C20H16BrNO3S MolecularWeight: 430.31494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3=C(C=C2C(C4=C(C=CN=C4)Br)O)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3=C(C=C2C(C4=C(C=CN=C4)Br)O)OCO3

InChI

InChI=1S/C20H16BrNO3S/c1-26-13-4-2-12(3-5-13)14-8-18-19(25-11-24-18)9-15(14)20(23)16-10-22-7-6-17(16)21/h2-10,20,23H,11H2,1H3