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

Systemtic Name: 1-(4-fluoranyl-2-nitro-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-fluoro-2-nitro-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-fluoro-2-nitrophenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-fluoro-2-nitrophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C17H13FN6O4S2 MolecularWeight: 448.451323

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN6O4S2/c18-11-2-7-14(15(10-11)24(25)26)22-17(29)21-12-3-5-13(6-4-12)30(27,28)23-16-19-8-1-9-20-16/h1-10H,(H,19,20,23)(H2,21,22,29)