2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(fluoranylmethyl)pyridazin-3-one

Systemtic Name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(fluoranylmethyl)pyridazin-3-one Openeye Name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(fluoromethyl)pyridazin-3-one CAS Name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylthio]-4-(fluoromethyl)-3-pyridazinone IUPAC Name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(fluoromethyl)pyridazin-3-one Traditional Name: 2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-(fluoromethyl)pyridazin-3-one Formula: C20H27FN2OS MolecularWeight: 362.504583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)CF

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)CF

InChI

InChI=1S/C20H27FN2OS/c1-19(2,3)15-9-7-14(8-10-15)13-25-17-12-22-23(20(4,5)6)18(24)16(17)11-21/h7-10,12H,11,13H2,1-6H3