N-(3-fluoranyl-4-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-benzamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[(4-methoxyphenyl)methylthio]-3-nitrobenzamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-3-nitrobenzamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-3-nitro-4-(p-anisylthio)benzamide Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)OC)[N+](=O)[O-])F

InChI

InChI=1S/C22H19FN2O4S/c1-14-3-7-17(12-19(14)23)24-22(26)16-6-10-21(20(11-16)25(27)28)30-13-15-4-8-18(29-2)9-5-15/h3-12H,13H2,1-2H3,(H,24,26)