2-tert-butyl-4-chloranyl-5-[(6-propan-2-yloxypyridin-3-yl)methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(6-propan-2-yloxypyridin-3-yl)methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(6-isopropoxy-3-pyridyl)methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(6-propan-2-yloxy-3-pyridinyl)methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[(6-propan-2-yloxypyridin-3-yl)methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(6-isopropoxy-3-pyridyl)methylthio]pyridazin-3-one Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CC(C)OC1=NC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C17H22ClN3O2S/c1-11(2)23-14-7-6-12(8-19-14)10-24-13-9-20-21(17(3,4)5)16(22)15(13)18/h6-9,11H,10H2,1-5H3