4-[5-methyl-3-oxidanylidene-4-[2-(2-sulfanylidenebenzimidazol-5-yl)hydrazinyl]-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-methyl-3-oxidanylidene-4-[2-(2-sulfanylidenebenzimidazol-5-yl)hydrazinyl]-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-methyl-3-oxo-4-[2-(2-thioxobenzimidazol-5-yl)hydrazino]-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[5-methyl-3-oxo-4-[(2-sulfanylidene-5-benzimidazolyl)hydrazo]-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-methyl-3-oxo-4-[2-(2-sulfanylidenebenzimidazol-5-yl)hydrazinyl]-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-3-methyl-4-[N'-(2-thioxobenzimidazol-5-yl)hydrazino]-3-pyrazolin-1-yl]besylic acid Formula: C17H14N6O4S2 MolecularWeight: 430.46086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)NNC3=CC4=NC(=S)N=C4C=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)NNC3=CC4=NC(=S)N=C4C=C3

InChI

InChI=1S/C17H14N6O4S2/c1-9-15(21-20-10-2-7-13-14(8-10)19-17(28)18-13)16(24)23(22-9)11-3-5-12(6-4-11)29(25,26)27/h2-8,20-22H,1H3,(H,25,26,27)