2-tert-butyl-4-chloranyl-5-[(3-phenylphenyl)methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(3-phenylphenyl)methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(3-phenylphenyl)methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(3-phenylphenyl)methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[(3-phenylphenyl)methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(3-phenylbenzyl)thio]pyridazin-3-one Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2OS/c1-21(2,3)24-20(25)19(22)18(13-23-24)26-14-15-8-7-11-17(12-15)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3