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

Systemtic Name: 5-bromanyl-2-(phenylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-bromo-2-(phenylmethylthio)-N-[2-(trifluoromethyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Formula: C19H13BrF3N3OS MolecularWeight: 468.29023

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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=C3C(F)(F)F)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3C(F)(F)F)Br

InChI

InChI=1S/C19H13BrF3N3OS/c20-14-10-24-18(28-11-12-6-2-1-3-7-12)26-16(14)17(27)25-15-9-5-4-8-13(15)19(21,22)23/h1-10H,11H2,(H,25,27)