4-bromanyl-1-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 4-bromo-1-methyl-N-[(4-sulfamoylanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-methyl-N-[(4-sulfamoylphenyl)thiocarbamoyl]pyrazole-3-carboxamide Formula: C12H12BrN5O3S2 MolecularWeight: 418.28938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)Br

InChI

InChI=1S/C12H12BrN5O3S2/c1-18-6-9(13)10(17-18)11(19)16-12(22)15-7-2-4-8(5-3-7)23(14,20)21/h2-6H,1H3,(H2,14,20,21)(H2,15,16,19,22)