1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-yl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H18BrN7O2S2 MolecularWeight: 544.44732

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)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN7O2S2/c22-16-4-2-15(3-5-16)14-29-13-10-19(27-29)26-21(32)25-17-6-8-18(9-7-17)33(30,31)28-20-23-11-1-12-24-20/h1-13H,14H2,(H,23,24,28)(H2,25,26,27,32)