2-tert-butyl-4-chloranyl-5-(pyridin-3-ylmethylsulfanyl)pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-(pyridin-3-ylmethylsulfanyl)pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-(3-pyridylmethylsulfanyl)pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-(3-pyridinylmethylthio)-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-(pyridin-3-ylmethylsulfanyl)pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-(3-pyridylmethylthio)pyridazin-3-one Formula: C14H16ClN3OS MolecularWeight: 309.81434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CN=CC=C2)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CN=CC=C2)Cl

InChI

InChI=1S/C14H16ClN3OS/c1-14(2,3)18-13(19)12(15)11(8-17-18)20-9-10-5-4-6-16-7-10/h4-8H,9H2,1-3H3