[[2,4-bis(2-methylbutan-2-yl)phenoxy]-ethanoyl-[3-[[(4Z)-4-[(4-methoxyphenyl)hydrazinylidene]-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-3-yl]carbamoyl]phenyl]azaniumyl]iminoazanide

Systemtic Name: [[2,4-bis(2-methylbutan-2-yl)phenoxy]-ethanoyl-[3-[[(4Z)-4-[(4-methoxyphenyl)hydrazinylidene]-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-3-yl]carbamoyl]phenyl]azaniumyl]iminoazanide Openeye Name: [acetyl-[2,4-bis(1,1-dimethylpropyl)phenoxy]-[3-[[(4Z)-4-[(4-methoxyphenyl)hydrazono]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]ammonio]iminoazanide CAS Name: [acetyl-[2,4-bis(2-methylbutan-2-yl)phenoxy]-[3-[[[(4Z)-4-[(4-methoxyphenyl)hydrazinylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-3-pyrazolyl]amino]-oxomethyl]phenyl]ammonio]iminoazanide IUPAC Name: [acetyl-[2,4-bis(2-methylbutan-2-yl)phenoxy]-[3-[[(4Z)-4-[(4-methoxyphenyl)hydrazinylidene]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]azaniumyl]iminoazanide Traditional Name: [acetyl-(2,4-ditert-amylphenoxy)-[3-[[(4Z)-5-keto-4-[(4-methoxyphenyl)hydrazono]-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]carbamoyl]phenyl]ammonio]iminoazanide Formula: C41H43Cl3N8O5 MolecularWeight: 834.18972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)O[N+](C2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3=NNC4=CC=C(C=C4)OC)C5=C(C=C(C=C5Cl)Cl)Cl)(C(=O)C)N=[N-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)O[N+](C2=CC=CC(=C2)C(=O)NC\3=NN(C(=O)/C3=N\NC4=CC=C(C=C4)OC)C5=C(C=C(C=C5Cl)Cl)Cl)(C(=O)C)N=[N-])C(C)(C)CC

InChI

InChI=1S/C41H43Cl3N8O5/c1-9-40(4,5)26-14-19-34(31(21-26)41(6,7)10-2)57-52(50-45,24(3)53)29-13-11-12-25(20-29)38(54)46-37-35(48-47-28-15-17-30(56-8)18-16-28)39(55)51(49-37)36-32(43)22-27(42)23-33(36)44/h11-23,47H,9-10H2,1-8H3,(H,46,49,54)/b48-35-