[4-[(4-tert-butylphenyl)methylsulfanyl]-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(4-tert-butylphenyl)methylsulfanyl]-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(4-tert-butylphenyl)methylsulfanyl]-5-chloro-6-oxo-pyridazin-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(4-tert-butylphenyl)methylthio]-5-chloro-6-oxo-1-pyridazinyl]methyl ester IUPAC Name: [4-[(4-tert-butylphenyl)methylsulfanyl]-5-chloro-6-oxopyridazin-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(4-tert-butylbenzyl)thio]-5-chloro-6-keto-pyridazin-1-yl]methyl ester Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)COC(=O)C(C)(C)C)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)COC(=O)C(C)(C)C)Cl

InChI

InChI=1S/C21H27ClN2O3S/c1-20(2,3)15-9-7-14(8-10-15)12-28-16-11-23-24(18(25)17(16)22)13-27-19(26)21(4,5)6/h7-11H,12-13H2,1-6H3