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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O2S2/c1-12-10-14(22-24(12)2)11-20-17(27)21-13-4-6-15(7-5-13)28(25,26)23-16-18-8-3-9-19-16/h3-10H,11H2,1-2H3,(H,18,19,23)(H2,20,21,27)