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

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-(3-pyridylmethylcarbamothioyl)isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-(3-pyridylmethylthiocarbamoyl)isoxazole-4-carboxamide Formula: C18H14ClFN4O2S MolecularWeight: 404.845763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C18H14ClFN4O2S/c1-10-14(16(24-26-10)15-12(19)5-2-6-13(15)20)17(25)23-18(27)22-9-11-4-3-7-21-8-11/h2-8H,9H2,1H3,(H2,22,23,25,27)