5-bromanyl-N-(3-ethanoylphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(3-ethanoylphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-5-bromo-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-5-bromo-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-5-bromo-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-5-bromo-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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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(=O)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O2S/c1-13-5-3-6-15(9-13)12-28-21-23-11-18(22)19(25-21)20(27)24-17-8-4-7-16(10-17)14(2)26/h3-11H,12H2,1-2H3,(H,24,27)