N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20ClN3O2S/c1-13-9-18(19(27-3)10-16(13)22)25-20(26)12-28-21-11-17(23-14(2)24-21)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,25,26)