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

Systemtic Name: 1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H20BrN7O2S2 MolecularWeight: 510.4311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H20BrN7O2S2/c1-13-16(19)12-26(24-13)11-3-10-22-18(29)23-14-4-6-15(7-5-14)30(27,28)25-17-20-8-2-9-21-17/h2,4-9,12H,3,10-11H2,1H3,(H,20,21,25)(H2,22,23,29)