N'-(3,5-dimethoxyphenyl)carbonyl-4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-benzohydrazide

Systemtic Name: N'-(3,5-dimethoxyphenyl)carbonyl-4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-benzohydrazide Openeye Name: N'-(3,5-dimethoxybenzoyl)-4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-benzohydrazide CAS Name: N'-[(3,5-dimethoxyphenyl)-oxomethyl]-4-[(2-fluorophenyl)methylthio]-3-nitrobenzohydrazide IUPAC Name: N'-(3,5-dimethoxybenzoyl)-4-[(2-fluorophenyl)methylsulfanyl]-3-nitrobenzohydrazide Traditional Name: N'-(3,5-dimethoxybenzoyl)-4-[(2-fluorobenzyl)thio]-3-nitro-benzohydrazide Formula: C23H20FN3O6S MolecularWeight: 485.484803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3F)[N+](=O)[O-])OC

InChI

InChI=1S/C23H20FN3O6S/c1-32-17-9-16(10-18(12-17)33-2)23(29)26-25-22(28)14-7-8-21(20(11-14)27(30)31)34-13-15-5-3-4-6-19(15)24/h3-12H,13H2,1-2H3,(H,25,28)(H,26,29)