2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-N-[(E)-(5-nitro-2-furanyl)methylideneamino]acetamide IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-20(2,3)15-9-14(10-16(19(15)26)21(4,5)6)30-12-17(25)23-22-11-13-7-8-18(29-13)24(27)28/h7-11,26H,12H2,1-6H3,(H,23,25)/b22-11+