5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(m-tolylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Formula: C20H15ClF3N3OS MolecularWeight: 437.86581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H15ClF3N3OS/c1-12-4-2-5-13(8-12)11-29-19-25-10-16(21)17(27-19)18(28)26-15-7-3-6-14(9-15)20(22,23)24/h2-10H,11H2,1H3,(H,26,28)