1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1-ethyl-5-methyl-4-pyrazolyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1-ethyl-5-methylpyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C17H19N7O2S2 MolecularWeight: 417.50846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O2S2/c1-3-24-12(2)15(11-20-24)22-17(27)21-13-5-7-14(8-6-13)28(25,26)23-16-18-9-4-10-19-16/h4-11H,3H2,1-2H3,(H,18,19,23)(H2,21,22,27)