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

Systemtic Name: 1,3-benzodioxol-5-yl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid 1,3-benzodioxol-5-yl ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N4O5S/c1-23-10-20-22-19(23)29-9-17(24)21-13-4-2-12(3-5-13)18(25)28-14-6-7-15-16(8-14)27-11-26-15/h2-8,10H,9,11H2,1H3,(H,21,24)