1-[4-[2-[(diphenylmethyl)carbamothioyl]hydrazinyl]-3-nitro-phenyl]sulfonylpyrrole-2-carboxylic acid

Systemtic Name: 1-[4-[2-[(diphenylmethyl)carbamothioyl]hydrazinyl]-3-nitro-phenyl]sulfonylpyrrole-2-carboxylic acid Openeye Name: 1-[4-[2-(benzhydrylcarbamothioyl)hydrazino]-3-nitro-phenyl]sulfonylpyrrole-2-carboxylic acid CAS Name: 1-[4-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]hydrazo]-3-nitrophenyl]sulfonyl-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[2-(benzhydrylcarbamothioyl)hydrazinyl]-3-nitrophenyl]sulfonylpyrrole-2-carboxylic acid Traditional Name: 1-[4-[N'-(benzhydrylthiocarbamoyl)hydrazino]-3-nitro-phenyl]sulfonylpyrrole-2-carboxylic acid Formula: C25H21N5O6S2 MolecularWeight: 551.59414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NNC3=C(C=C(C=C3)S(=O)(=O)N4C=CC=C4C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NNC3=C(C=C(C=C3)S(=O)(=O)N4C=CC=C4C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O6S2/c31-24(32)21-12-7-15-29(21)38(35,36)19-13-14-20(22(16-19)30(33)34)27-28-25(37)26-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23,27H,(H,31,32)(H2,26,28,37)