3,4-dimethoxy-N'-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonyl-benzohydrazide

Systemtic Name: 3,4-dimethoxy-N'-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonyl-benzohydrazide Openeye Name: N'-(4-isopentylsulfanyl-3-nitro-benzoyl)-3,4-dimethoxy-benzohydrazide CAS Name: 3,4-dimethoxy-N'-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]benzohydrazide IUPAC Name: 3,4-dimethoxy-N'-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]benzohydrazide Traditional Name: N'-[4-(isoamylthio)-3-nitro-benzoyl]-3,4-dimethoxy-benzohydrazide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-13(2)9-10-31-19-8-6-14(11-16(19)24(27)28)20(25)22-23-21(26)15-5-7-17(29-3)18(12-15)30-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,25)(H,23,26)