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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2S/c1-14-23-18(15-6-4-3-5-7-15)13-21(24-14)28-11-10-20(26)25-16-8-9-19(27-2)17(22)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,25,26)