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

Systemtic Name: 1-ethyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 1-ethyl-4-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]pyrazole-3-carboxamide Formula: C17H18N8O3S2 MolecularWeight: 446.50662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C17H18N8O3S2/c1-2-25-10-13(14(23-25)15(18)26)22-17(29)21-11-4-6-12(7-5-11)30(27,28)24-16-19-8-3-9-20-16/h3-10H,2H2,1H3,(H2,18,26)(H,19,20,24)(H2,21,22,29)