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

Systemtic Name: 4-[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid Openeye Name: 4-[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid CAS Name: 4-[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid IUPAC Name: 4-[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]besylic acid Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H12N4O3S2/c19-23(20,21)12-8-6-11(7-9-12)17-18-13(15-16-14(18)22)10-4-2-1-3-5-10/h1-9,17H,(H,16,22)(H,19,20,21)