1-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[3-(4-bromo-1-pyrazolyl)propyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C17H18BrN7O2S2 MolecularWeight: 496.40452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCCN3C=C(C=N3)Br

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCCN3C=C(C=N3)Br

InChI

InChI=1S/C17H18BrN7O2S2/c18-13-11-22-25(12-13)10-2-9-21-17(28)23-14-3-5-15(6-4-14)29(26,27)24-16-19-7-1-8-20-16/h1,3-8,11-12H,2,9-10H2,(H,19,20,24)(H2,21,23,28)