2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C18H17F3N2O6S MolecularWeight: 446.39759

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N2O6S/c1-27-13-7-11(8-14(28-2)17(13)29-3)22-16(24)9-30-15-5-4-10(18(19,20)21)6-12(15)23(25)26/h4-8H,9H2,1-3H3,(H,22,24)