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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C17H13ClFN5O2S2 MolecularWeight: 437.898823

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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=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H13ClFN5O2S2/c18-14-10-12(4-7-15(14)19)23-17(27)22-11-2-5-13(6-3-11)28(25,26)24-16-20-8-1-9-21-16/h1-10H,(H,20,21,24)(H2,22,23,27)