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

Systemtic Name: 2-[[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]methyl]benzoic acid IUPAC Name: 2-[[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamoyl]benzoic acid Formula: C15H11N5O3S MolecularWeight: 341.34454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C(=S)N=NN3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C(=S)N=NN3)C(=O)O

InChI

InChI=1S/C15H11N5O3S/c21-13(11-6-1-2-7-12(11)14(22)23)16-9-4-3-5-10(8-9)20-15(24)17-18-19-20/h1-8H,(H,16,21)(H,22,23)(H,17,19,24)