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

Systemtic Name: 2-[[4-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-methyl-4-[(Z)-piperonylideneamino]-1,2,4-triazol-3-yl]thio]acetate Formula: C13H11N4O4S- MolecularWeight: 319.31584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC3=C(C=C2)OCO3)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1/N=C\C2=CC3=C(C=C2)OCO3)SCC(=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c1-8-15-16-13(22-6-12(18)19)17(8)14-5-9-2-3-10-11(4-9)21-7-20-10/h2-5H,6-7H2,1H3,(H,18,19)/p-1/b14-5-