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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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