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

Systemtic Name: 5-bromanyl-N-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(p-tolyl)-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(4-methylphenyl)-2-[(4-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-[(4-methylbenzyl)thio]-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3OS/c1-13-3-7-15(8-4-13)12-26-20-22-11-17(21)18(24-20)19(25)23-16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3,(H,23,25)