2-[[2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]terephthalic acid

Systemtic Name: 2-[[2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]terephthalic acid Openeye Name: 2-[[2-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamoyl]terephthalic acid CAS Name: 2-[oxo-[2-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]methyl]terephthalic acid IUPAC Name: 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamoyl]terephthalic acid Traditional Name: 2-[[2-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamoyl]terephthalic acid Formula: C16H11N5O5S MolecularWeight: 385.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)N3C(=S)N=NN3

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)N3C(=S)N=NN3

InChI

InChI=1S/C16H11N5O5S/c22-13(10-7-8(14(23)24)5-6-9(10)15(25)26)17-11-3-1-2-4-12(11)21-16(27)18-19-20-21/h1-7H,(H,17,22)(H,23,24)(H,25,26)(H,18,20,27)