2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C18H11N3O5S MolecularWeight: 381.36204

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C18H11N3O5S/c22-16-11-3-1-2-4-12(11)17(23)21(16)8-27-18-20-19-15(26-18)10-5-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2