N-[(3,4-dimethoxyphenyl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-veratryl-acetamide Formula: C18H17F3N2O5S MolecularWeight: 430.39819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17F3N2O5S/c1-27-14-5-3-11(7-15(14)28-2)9-22-17(24)10-29-16-6-4-12(18(19,20)21)8-13(16)23(25)26/h3-8H,9-10H2,1-2H3,(H,22,24)