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

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C27H23N7O2S2 MolecularWeight: 541.64722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N7O2S2/c35-38(36,33-26-28-16-7-17-29-26)24-14-12-22(13-15-24)31-27(37)30-18-21-19-34(23-10-5-2-6-11-23)32-25(21)20-8-3-1-4-9-20/h1-17,19H,18H2,(H,28,29,33)(H2,30,31,37)