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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H10N3O4S- MolecularWeight: 292.2905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC3=C(C=C2)OCO3)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC3=C(C=C2)OCO3)SCC(=O)[O-]

InChI

InChI=1S/C12H11N3O4S/c1-7-13-14-12(20-5-11(16)17)15(7)8-2-3-9-10(4-8)19-6-18-9/h2-4H,5-6H2,1H3,(H,16,17)/p-1