1,3-bis[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one

Systemtic Name: 1,3-bis[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one Openeye Name: 1,3-bis[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one CAS Name: 1,3-bis[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-2-propanone IUPAC Name: 1,3-bis[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one Traditional Name: 1,3-bis[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]acetone Formula: C21H14N4O7S2 MolecularWeight: 498.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC(=O)CSC4=NN=C(O4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC(=O)CSC4=NN=C(O4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C21H14N4O7S2/c26-13(7-33-20-24-22-18(31-20)11-1-3-14-16(5-11)29-9-27-14)8-34-21-25-23-19(32-21)12-2-4-15-17(6-12)30-10-28-15/h1-6H,7-10H2