2-tert-butyl-4-chloranyl-5-[[4-(2-propan-2-ylsulfanylethoxy)phenyl]methoxy]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(2-propan-2-ylsulfanylethoxy)phenyl]methoxy]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(2-isopropylsulfanylethoxy)phenyl]methoxy]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-[2-(propan-2-ylthio)ethoxy]phenyl]methoxy]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(2-propan-2-ylsulfanylethoxy)phenyl]methoxy]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[4-[2-(isopropylthio)ethoxy]benzyl]oxy-pyridazin-3-one Formula: C20H27ClN2O3S MolecularWeight: 410.95798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCOC1=CC=C(C=C1)COC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CC(C)SCCOC1=CC=C(C=C1)COC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C20H27ClN2O3S/c1-14(2)27-11-10-25-16-8-6-15(7-9-16)13-26-17-12-22-23(20(3,4)5)19(24)18(17)21/h6-9,12,14H,10-11,13H2,1-5H3