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

Systemtic Name: 1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H21N7O2S2 MolecularWeight: 431.53504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O2S2/c1-4-25-13(3)16(12(2)23-25)22-18(28)21-14-6-8-15(9-7-14)29(26,27)24-17-19-10-5-11-20-17/h5-11H,4H2,1-3H3,(H,19,20,24)(H2,21,22,28)