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

Systemtic Name: 5-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]isophthalate Formula: C12H9N5O5S-2 MolecularWeight: 335.29536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H11N5O5S/c1-17-12(14-15-16-17)23-5-9(18)13-8-3-6(10(19)20)2-7(4-8)11(21)22/h2-4H,5H2,1H3,(H,13,18)(H,19,20)(H,21,22)/p-2