2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-methyl-pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-methyl-pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)-6-methyl-pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(4-chloro-3,5-dimethylphenoxy)-6-methyl-2-pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(4-chloro-3,5-dimethyl-phenoxy)-6-methyl-pyrimidin-2-yl]thio]-1-phenyl-ethanone Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC(=NC(=C2)C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC(=NC(=C2)C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O2S/c1-13-9-17(10-14(2)20(13)22)26-19-11-15(3)23-21(24-19)27-12-18(25)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3