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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H21N7O2S2/c1-12-16(13(2)25(3)23-12)11-21-18(28)22-14-5-7-15(8-6-14)29(26,27)24-17-19-9-4-10-20-17/h4-10H,11H2,1-3H3,(H,19,20,24)(H2,21,22,28)