2-(1-adamantyl)-4-chloranyl-5-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[(1-methyl-5-phenyl-2-imidazolyl)thio]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(1-methyl-5-phenylimidazol-2-yl)sulfanylpyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[(1-methyl-5-phenyl-imidazol-2-yl)thio]pyridazin-3-one Formula: C24H25ClN4OS MolecularWeight: 452.9995

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)C6=CC=CC=C6

Isomeric SMILES

CN1C(=CN=C1SC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)C6=CC=CC=C6

InChI

InChI=1S/C24H25ClN4OS/c1-28-19(18-5-3-2-4-6-18)13-26-23(28)31-20-14-27-29(22(30)21(20)25)24-10-15-7-16(11-24)9-17(8-15)12-24/h2-6,13-17H,7-12H2,1H3