N-(4-bromophenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(4-bromophenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-bromophenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-bromophenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-bromophenyl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H18BrN3OS/c1-14-22-18(15-5-3-2-4-6-15)13-20(23-14)26-12-11-19(25)24-17-9-7-16(21)8-10-17/h2-10,13H,11-12H2,1H3,(H,24,25)