5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-[(4-fluorophenyl)methylsulfanyl]-N-(o-tolyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-[(4-fluorophenyl)methylthio]-N-(2-methylphenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-[(4-fluorobenzyl)thio]-N-(o-tolyl)pyrimidine-4-carboxamide Formula: C19H15BrFN3OS MolecularWeight: 432.309303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Br)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Br)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H15BrFN3OS/c1-12-4-2-3-5-16(12)23-18(25)17-15(20)10-22-19(24-17)26-11-13-6-8-14(21)9-7-13/h2-10H,11H2,1H3,(H,23,25)