2-[[4-(1,3-benzodioxol-5-yl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC3=C(C=C2)OCO3)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC3=C(C=C2)OCO3)SCC(=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-2-11-14-15-13(21-6-12(17)18)16(11)8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3,(H,17,18)/p-1