1-methyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 1-methyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide CAS Name: 1-methyl-4-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 1-methyl-4-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]pyrazole-3-carboxamide Formula: C16H16N8O3S2 MolecularWeight: 432.48004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C16H16N8O3S2/c1-24-9-12(13(22-24)14(17)25)21-16(28)20-10-3-5-11(6-4-10)29(26,27)23-15-18-7-2-8-19-15/h2-9H,1H3,(H2,17,25)(H,18,19,23)(H2,20,21,28)