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

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-coumarin Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H14N2O5S/c1-11-2-4-14-13(8-18(23)26-16(14)6-11)9-28-20-22-21-19(27-20)12-3-5-15-17(7-12)25-10-24-15/h2-8H,9-10H2,1H3