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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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