N-(4,5-dimethoxy-2-methyl-phenyl)-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H19FN2O5S/c1-13-10-19(29-2)20(30-3)12-17(13)24-22(26)14-4-9-21(18(11-14)25(27)28)31-16-7-5-15(23)6-8-16/h4-12H,1-3H3,(H,24,26)