3-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N3O4S/c1-16-12(14-15-13(16)21-5-4-11(17)18)8-2-3-9-10(6-8)20-7-19-9/h2-3,6H,4-5,7H2,1H3,(H,17,18)/p-1