methyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(2-nitroethylcarbamothioyl)benzenecarboximidate

Systemtic Name: methyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(2-nitroethylcarbamothioyl)benzenecarboximidate Openeye Name: methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-nitroethylcarbamothioyl)benzenecarboximidate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[(2-nitroethylamino)-sulfanylidenemethyl]benzenecarboximidic acid methyl ester IUPAC Name: methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-nitroethylcarbamothioyl)benzenecarboximidate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-nitroethylthiocarbamoyl)benzenecarboximidic acid methyl ester Formula: C18H15ClF3N3O4S MolecularWeight: 461.84261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=N)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=S)NCC[N+](=O)[O-]

Isomeric SMILES

COC(=N)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=S)NCC[N+](=O)[O-]

InChI

InChI=1S/C18H15ClF3N3O4S/c1-28-16(23)13-9-11(3-4-12(13)17(30)24-6-7-25(26)27)29-15-5-2-10(8-14(15)19)18(20,21)22/h2-5,8-9,23H,6-7H2,1H3,(H,24,30)