5-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Openeye Name: 5-[(2-chloro-4-fluoro-benzoyl)carbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide CAS Name: 5-[[[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-(4-sulfamoylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[(2-chloro-4-fluorobenzoyl)carbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Traditional Name: 5-[(2-chloro-4-fluoro-benzoyl)thiocarbamoylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Formula: C18H14ClFN6O4S2 MolecularWeight: 496.922963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl)S(=O)(=O)N

InChI

InChI=1S/C18H14ClFN6O4S2/c19-14-7-9(20)1-6-12(14)17(28)25-18(31)24-16-13(15(21)27)8-23-26(16)10-2-4-11(5-3-10)32(22,29)30/h1-8H,(H2,21,27)(H2,22,29,30)(H2,24,25,28,31)