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

Systemtic Name: N-(3-ethanoylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(3-acetylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(3-acetylphenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-acetylphenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(3-acetylphenyl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-15(26)18-9-6-10-19(13-18)25-21(27)11-12-28-22-14-20(23-16(2)24-22)17-7-4-3-5-8-17/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)