N-[6-chloranyl-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[6-chloranyl-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[6-chloro-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[6-chloro-5-[4-(methylthio)phenyl]-4-pyrimidinyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[6-chloro-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[6-chloro-5-[4-(methylthio)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide Formula: C18H13ClF3N3O2S2 MolecularWeight: 459.89293

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H13ClF3N3O2S2/c1-28-13-6-2-11(3-7-13)15-16(19)23-10-24-17(15)25-29(26,27)14-8-4-12(5-9-14)18(20,21)22/h2-10H,1H3,(H,23,24,25)