6-(4-azanylpyridin-2-yl)-2-tert-butyl-4-chloranyl-5-(phenylmethylsulfanyl)pyridazin-3-one

Systemtic Name: 6-(4-azanylpyridin-2-yl)-2-tert-butyl-4-chloranyl-5-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 6-(4-amino-2-pyridyl)-5-benzylsulfanyl-2-tert-butyl-4-chloro-pyridazin-3-one CAS Name: 6-(4-amino-2-pyridinyl)-2-tert-butyl-4-chloro-5-(phenylmethylthio)-3-pyridazinone IUPAC Name: 6-(4-aminopyridin-2-yl)-5-benzylsulfanyl-2-tert-butyl-4-chloropyridazin-3-one Traditional Name: 6-(4-amino-2-pyridyl)-5-(benzylthio)-2-tert-butyl-4-chloro-pyridazin-3-one Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C(=N1)C2=NC=CC(=C2)N)SCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C(=N1)C2=NC=CC(=C2)N)SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-20(2,3)25-19(26)16(21)18(27-12-13-7-5-4-6-8-13)17(24-25)15-11-14(22)9-10-23-15/h4-11H,12H2,1-3H3,(H2,22,23)