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

Systemtic Name: 5-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]isophthalamide Formula: C12H13N7O3S MolecularWeight: 335.34172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C12H13N7O3S/c1-19-12(16-17-18-19)23-5-9(20)15-8-3-6(10(13)21)2-7(4-8)11(14)22/h2-4H,5H2,1H3,(H2,13,21)(H2,14,22)(H,15,20)