N'-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpyridine-3-carbohydrazide

Systemtic Name: N'-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpyridine-3-carbohydrazide Openeye Name: N'-(4-isopentylsulfanyl-3-nitro-benzoyl)pyridine-3-carbohydrazide CAS Name: N'-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-3-pyridinecarbohydrazide IUPAC Name: N'-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]pyridine-3-carbohydrazide Traditional Name: N'-[4-(isoamylthio)-3-nitro-benzoyl]nicotinohydrazide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-12(2)7-9-27-16-6-5-13(10-15(16)22(25)26)17(23)20-21-18(24)14-4-3-8-19-11-14/h3-6,8,10-12H,7,9H2,1-2H3,(H,20,23)(H,21,24)