methyl 5-[6-(5-methoxy-4,4-dimethyl-5-oxidanylidene-pentyl)sulfanyl-5-phenyl-pyridazin-3-yl]sulfanyl-2,2-dimethyl-pentanoate

Systemtic Name: methyl 5-[6-(5-methoxy-4,4-dimethyl-5-oxidanylidene-pentyl)sulfanyl-5-phenyl-pyridazin-3-yl]sulfanyl-2,2-dimethyl-pentanoate Openeye Name: methyl 5-[6-(5-methoxy-4,4-dimethyl-5-oxo-pentyl)sulfanyl-5-phenyl-pyridazin-3-yl]sulfanyl-2,2-dimethyl-pentanoate CAS Name: 5-[[6-[(5-methoxy-4,4-dimethyl-5-oxopentyl)thio]-5-phenyl-3-pyridazinyl]thio]-2,2-dimethylpentanoic acid methyl ester IUPAC Name: methyl 5-[6-(5-methoxy-4,4-dimethyl-5-oxopentyl)sulfanyl-5-phenylpyridazin-3-yl]sulfanyl-2,2-dimethylpentanoate Traditional Name: 5-[[6-[(5-keto-5-methoxy-4,4-dimethyl-pentyl)thio]-5-phenyl-pyridazin-3-yl]thio]-2,2-dimethyl-valeric acid methyl ester Formula: C26H36N2O4S2 MolecularWeight: 504.70504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCSC1=NN=C(C(=C1)C2=CC=CC=C2)SCCCC(C)(C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(CCCSC1=NN=C(C(=C1)C2=CC=CC=C2)SCCCC(C)(C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H36N2O4S2/c1-25(2,23(29)31-5)14-10-16-33-21-18-20(19-12-8-7-9-13-19)22(28-27-21)34-17-11-15-26(3,4)24(30)32-6/h7-9,12-13,18H,10-11,14-17H2,1-6H3