1-[5-(1,3-benzodioxol-5-ylmethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one

Systemtic Name: 1-[5-(1,3-benzodioxol-5-ylmethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one Openeye Name: 1-[5-(1,3-benzodioxol-5-ylmethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one CAS Name: 1-[5-(1,3-benzodioxol-5-ylmethylamino)-1,2,4-thiadiazol-3-yl]-2-propanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-ylmethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one Traditional Name: 1-[5-(piperonylamino)-1,2,4-thiadiazol-3-yl]acetone Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NSC(=N1)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)CC1=NSC(=N1)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N3O3S/c1-8(17)4-12-15-13(20-16-12)14-6-9-2-3-10-11(5-9)19-7-18-10/h2-3,5H,4,6-7H2,1H3,(H,14,15,16)