2-tert-butyl-4-chloranyl-5-[(4-pyridin-2-ylphenyl)methylsulfanyl]pyridazin-3-one hydrochloride

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(4-pyridin-2-ylphenyl)methylsulfanyl]pyridazin-3-one hydrochloride Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(2-pyridyl)phenyl]methylsulfanyl]pyridazin-3-one hydrochloride CAS Name: 2-tert-butyl-4-chloro-5-[[4-(2-pyridinyl)phenyl]methylthio]-3-pyridazinone hydrochloride IUPAC Name: 2-tert-butyl-4-chloro-5-[(4-pyridin-2-ylphenyl)methylsulfanyl]pyridazin-3-one hydrochloride Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(2-pyridyl)benzyl]thio]pyridazin-3-one hydrochloride Formula: C20H21Cl2N3OS MolecularWeight: 422.37124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=CC=CC=N3)Cl.Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=CC=CC=N3)Cl.Cl

InChI

InChI=1S/C20H20ClN3OS.ClH/c1-20(2,3)24-19(25)18(21)17(12-23-24)26-13-14-7-9-15(10-8-14)16-6-4-5-11-22-16;/h4-12H,13H2,1-3H3;1H