1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[3-(1-pyrazolylmethyl)phenyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H19N7O2S2 MolecularWeight: 465.55126

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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=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C21H19N7O2S2/c29-32(30,27-20-22-10-2-11-23-20)19-8-6-17(7-9-19)25-21(31)26-18-5-1-4-16(14-18)15-28-13-3-12-24-28/h1-14H,15H2,(H,22,23,27)(H2,25,26,31)