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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(O1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)CSC1=NN=C(O1)CC2=CC3=C(C=C2)OCO3

InChI

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