3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[(2-oxidanylidenethiolan-3-yl)carbamothioyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[(2-oxidanylidenethiolan-3-yl)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[(2-oxotetrahydrothiophen-3-yl)carbamothioyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[[(2-oxo-3-thiolanyl)amino]-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-N-[(2-ketotetrahydrothiophen-3-yl)thiocarbamoyl]-5-methyl-isoxazole-4-carboxamide Formula: C16H13ClFN3O3S2 MolecularWeight: 413.874123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NC3CCSC3=O

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC(=S)NC3CCSC3=O

InChI

InChI=1S/C16H13ClFN3O3S2/c1-7-11(13(21-24-7)12-8(17)3-2-4-9(12)18)14(22)20-16(25)19-10-5-6-26-15(10)23/h2-4,10H,5-6H2,1H3,(H2,19,20,22,25)