1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H13F3N6O4S2 MolecularWeight: 498.45883

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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=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H13F3N6O4S2/c19-18(20,21)14-10-12(27(28)29)4-7-15(14)25-17(32)24-11-2-5-13(6-3-11)33(30,31)26-16-22-8-1-9-23-16/h1-10H,(H,22,23,26)(H2,24,25,32)