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

Systemtic Name: 5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]isophthalate Formula: C13H10N4O5S-2 MolecularWeight: 334.3073

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H12N4O5S/c1-17-6-14-16-13(17)23-5-10(18)15-9-3-7(11(19)20)2-8(4-9)12(21)22/h2-4,6H,5H2,1H3,(H,15,18)(H,19,20)(H,21,22)/p-2