methyl (1E)-N-carbamothioyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboximidate

Systemtic Name: methyl (1E)-N-carbamothioyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboximidate Openeye Name: methyl (1E)-N-carbamothioyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboximidate CAS Name: (1E)-N-carbamothioyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarboximidic acid methyl ester IUPAC Name: methyl (1E)-N-carbamothioyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarboximidate Traditional Name: (1E)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-thiocarbamoyl-benzenecarboximidic acid methyl ester Formula: C16H11ClF3N3O4S MolecularWeight: 433.78945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3N3O4S/c1-26-14(22-15(21)28)10-7-9(3-4-12(10)23(24)25)27-13-5-2-8(6-11(13)17)16(18,19)20/h2-7H,1H3,(H2,21,28)/b22-14+