3-(4-chlorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide

Systemtic Name: 3-(4-chlorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Openeye Name: 3-(4-chlorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide CAS Name: 3-(4-chlorophenyl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]propanamide IUPAC Name: 3-(4-chlorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Traditional Name: 3-(4-chlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]propionamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H20ClN3OS/c1-14-13-15(2)24-21(23-14)27-19-10-8-18(9-11-19)25-20(26)12-5-16-3-6-17(22)7-4-16/h3-4,6-11,13H,5,12H2,1-2H3,(H,25,26)