N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)thio]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: 2-[(2-fluorophenyl)thio]-5-nitro-N-veratryl-benzamide Formula: C22H19FN2O5S MolecularWeight: 442.460063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F)OC

InChI

InChI=1S/C22H19FN2O5S/c1-29-18-9-7-14(11-19(18)30-2)13-24-22(26)16-12-15(25(27)28)8-10-20(16)31-21-6-4-3-5-17(21)23/h3-12H,13H2,1-2H3,(H,24,26)