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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)CN4C=C(C=N4)Br

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)CN4C=C(C=N4)Br

InChI

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