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

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]butan-2-one Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(O1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)CCSC1=NN=C(O1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N2O4S/c1-8(16)4-5-20-13-15-14-12(19-13)9-2-3-10-11(6-9)18-7-17-10/h2-3,6H,4-5,7H2,1H3