3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-(phenacylcarbamothioyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-(phenacylcarbamothioyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-(phenacylcarbamothioyl)isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(phenacylamino)-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(phenacylcarbamothioyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-(phenacylthiocarbamoyl)isoxazole-4-carboxamide Formula: C20H15ClFN3O3S MolecularWeight: 431.867803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H15ClFN3O3S/c1-11-16(18(25-28-11)17-13(21)8-5-9-14(17)22)19(27)24-20(29)23-10-15(26)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H2,23,24,27,29)