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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CCCOC1=NC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

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