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

Systemtic Name: 5-chloranyl-2-(phenylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(phenylmethylthio)-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Formula: C19H13ClF3N3OS MolecularWeight: 423.83923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClF3N3OS/c20-15-10-24-18(28-11-12-5-2-1-3-6-12)26-16(15)17(27)25-14-8-4-7-13(9-14)19(21,22)23/h1-10H,11H2,(H,25,27)