5-[(3-nitrophenyl)carbonylcarbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

Systemtic Name: 5-[(3-nitrophenyl)carbonylcarbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Openeye Name: 5-[(3-nitrobenzoyl)carbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide CAS Name: 5-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-(4-sulfamoylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[(3-nitrobenzoyl)carbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Traditional Name: 5-[(3-nitrobenzoyl)thiocarbamoylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Formula: C18H15N7O6S2 MolecularWeight: 489.485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)N

InChI

InChI=1S/C18H15N7O6S2/c19-15(26)14-9-21-24(11-4-6-13(7-5-11)33(20,30)31)16(14)22-18(32)23-17(27)10-2-1-3-12(8-10)25(28)29/h1-9H,(H2,19,26)(H2,20,30,31)(H2,22,23,27,32)