5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-N-oxidanyl-N-(2-sulfanylidenepropyl)benzamide

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-N-oxidanyl-N-(2-sulfanylidenepropyl)benzamide Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-hydroxy-2-nitro-N-(2-thioxopropyl)benzamide CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-hydroxy-2-nitro-N-(2-sulfanylidenepropyl)benzamide IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-hydroxy-2-nitro-N-(2-sulfanylidenepropyl)benzamide Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-hydroxy-2-nitro-N-(2-thioxopropyl)benzamide Formula: C17H12ClF3N2O5S MolecularWeight: 448.80079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClF3N2O5S/c1-9(29)8-22(25)16(24)12-7-11(3-4-14(12)23(26)27)28-15-5-2-10(6-13(15)18)17(19,20)21/h2-7,25H,8H2,1H3