2-tert-butyl-4-chloranyl-5-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[3-(2-pyridyl)isoxazol-5-yl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[3-(2-pyridinyl)-5-isoxazolyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[3-(2-pyridyl)isoxazol-5-yl]methylthio]pyridazin-3-one Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC(=NO2)C3=CC=CC=N3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC(=NO2)C3=CC=CC=N3)Cl

InChI

InChI=1S/C17H17ClN4O2S/c1-17(2,3)22-16(23)15(18)14(9-20-22)25-10-11-8-13(21-24-11)12-6-4-5-7-19-12/h4-9H,10H2,1-3H3