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

Systemtic Name: 2-[[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamothioylcarbamoyl]benzenesulfonic acid Openeye Name: 2-[[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamothioylcarbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[[sulfanylidene-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]methyl]amino]methyl]benzenesulfonic acid IUPAC Name: 2-[[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamothioylcarbamoyl]benzenesulfonic acid Traditional Name: 2-[[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]thiocarbamoylcarbamoyl]besylic acid Formula: C15H12N6O4S3 MolecularWeight: 436.48858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6O4S3/c22-13(11-6-1-2-7-12(11)28(23,24)25)17-14(26)16-9-4-3-5-10(8-9)21-15(27)18-19-20-21/h1-8H,(H,18,20,27)(H,23,24,25)(H2,16,17,22,26)