2-[4-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-[3-(4-chlorophenyl)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-[3-(4-chlorophenyl)-5-methyl-4-isoxazolyl]-2-pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-[3-(4-chlorophenyl)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]thio]-1-phenyl-ethanone Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16ClN3O2S/c1-14-20(21(26-28-14)16-7-9-17(23)10-8-16)18-11-12-24-22(25-18)29-13-19(27)15-5-3-2-4-6-15/h2-12H,13H2,1H3