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

Systemtic Name: 5-[(4-cyanophenyl)carbonylcarbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Openeye Name: 5-[(4-cyanobenzoyl)carbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide CAS Name: 5-[[[[(4-cyanophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-(4-sulfamoylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[(4-cyanobenzoyl)carbamothioylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Traditional Name: 5-[(4-cyanobenzoyl)thiocarbamoylamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Formula: C19H15N7O4S2 MolecularWeight: 469.4969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NC(=S)NC2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)NC(=S)NC2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)N

InChI

InChI=1S/C19H15N7O4S2/c20-9-11-1-3-12(4-2-11)18(28)25-19(31)24-17-15(16(21)27)10-23-26(17)13-5-7-14(8-6-13)32(22,29)30/h1-8,10H,(H2,21,27)(H2,22,29,30)(H2,24,25,28,31)