3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(phenylmethylthio)ethyl]-4-isoxazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxamide Formula: C20H18ClFN2O2S MolecularWeight: 404.885523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H18ClFN2O2S/c1-13-17(19(24-26-13)18-15(21)8-5-9-16(18)22)20(25)23-10-11-27-12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,23,25)