N-[2,5-bis(chloranyl)phenyl]-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2,5-dichlorophenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2,5-dichlorophenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(2,5-dichlorophenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2,5-dichlorophenyl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C20H17Cl2N3OS MolecularWeight: 418.33948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3OS/c1-13-23-17(14-5-3-2-4-6-14)12-20(24-13)27-10-9-19(26)25-18-11-15(21)7-8-16(18)22/h2-8,11-12H,9-10H2,1H3,(H,25,26)