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

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

Systemtic Name:2-[[3-(5-sulfanylidene-1H-1,2,3,4-tetrazol-2-yl)phenyl]carbamoyl]benzenesulfonic acid
Openeye Name:2-[[3-(5-thioxo-1H-tetrazol-2-yl)phenyl]carbamoyl]benzenesulfonic acid
CAS Name:2-[oxo-[3-(5-sulfanylidene-1H-tetrazol-2-yl)anilino]methyl]benzenesulfonic acid
IUPAC Name:2-[[3-(5-sulfanylidene-1H-tetrazol-2-yl)phenyl]carbamoyl]benzenesulfonic acid
Traditional Name:2-[[3-(5-thioxo-1H-tetrazol-2-yl)phenyl]carbamoyl]besylic acid
Formula: C14H11N5O4S2
MolecularWeight: 377.39824
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3NC(=S)N=N3)S(=O)(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3NC(=S)N=N3)S(=O)(=O)O


InChI

InChI=1S/C14H11N5O4S2/c20-13(11-6-1-2-7-12(11)25(21,22)23)15-9-4-3-5-10(8-9)19-17-14(24)16-18-19/h1-8H,(H,15,20)(H,17,24)(H,21,22,23)


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