4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-bromanyl-chromen-2-one

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-bromanyl-chromen-2-one Openeye Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 4-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-bromo-1-benzopyran-2-one IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-bromochromen-2-one Traditional Name: 4-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-bromo-coumarin Formula: C19H11BrN2O5S MolecularWeight: 459.27004

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC(=O)OC5=C4C=CC(=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC(=O)OC5=C4C=CC(=C5)Br

InChI

InChI=1S/C19H11BrN2O5S/c20-12-2-3-13-11(6-17(23)26-15(13)7-12)8-28-19-22-21-18(27-19)10-1-4-14-16(5-10)25-9-24-14/h1-7H,8-9H2