N'-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-(4-isopentylsulfanyl-3-nitro-benzoyl)-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[4-(isoamylthio)-3-nitro-benzoyl]-1,3-benzodioxole-5-carbohydrazide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-12(2)7-8-30-18-6-4-13(9-15(18)23(26)27)19(24)21-22-20(25)14-3-5-16-17(10-14)29-11-28-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,24)(H,22,25)