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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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