5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(4-fluorophenyl)methylthio]-N-(4-sulfamoylphenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(4-fluorobenzyl)thio]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide Formula: C18H14ClFN4O3S2 MolecularWeight: 452.910163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)Cl)F

InChI

InChI=1S/C18H14ClFN4O3S2/c19-15-9-22-18(28-10-11-1-3-12(20)4-2-11)24-16(15)17(25)23-13-5-7-14(8-6-13)29(21,26)27/h1-9H,10H2,(H,23,25)(H2,21,26,27)