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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-(quinolin-2-ylmethylsulfanyl)pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-(2-quinolylmethylsulfanyl)pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-(2-quinolinylmethylthio)-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-(quinolin-2-ylmethylsulfanyl)pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-(2-quinolylmethylthio)pyridazin-3-one Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=NC3=CC=CC=C3C=C2)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=NC3=CC=CC=C3C=C2)Cl

InChI

InChI=1S/C18H18ClN3OS/c1-18(2,3)22-17(23)16(19)15(10-20-22)24-11-13-9-8-12-6-4-5-7-14(12)21-13/h4-10H,11H2,1-3H3