2-methyl-N'-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonyl-furan-3-carbohydrazide

Systemtic Name: 2-methyl-N'-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonyl-furan-3-carbohydrazide Openeye Name: N'-(4-isopentylsulfanyl-3-nitro-benzoyl)-2-methyl-furan-3-carbohydrazide CAS Name: 2-methyl-N'-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-3-furancarbohydrazide IUPAC Name: 2-methyl-N'-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]furan-3-carbohydrazide Traditional Name: N'-[4-(isoamylthio)-3-nitro-benzoyl]-2-methyl-3-furohydrazide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C(=O)NNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-11(2)7-9-27-16-5-4-13(10-15(16)21(24)25)17(22)19-20-18(23)14-6-8-26-12(14)3/h4-6,8,10-11H,7,9H2,1-3H3,(H,19,22)(H,20,23)