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

Systemtic Name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-pyridazin-3-one Openeye Name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-pyridazin-3-one CAS Name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylthio]-4-ethyl-3-pyridazinone IUPAC Name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethylpyridazin-3-one Traditional Name: 2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-ethyl-pyridazin-3-one Formula: C21H30N2OS MolecularWeight: 358.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN(C1=O)C(C)(C)C)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC1=C(C=NN(C1=O)C(C)(C)C)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H30N2OS/c1-8-17-18(13-22-23(19(17)24)21(5,6)7)25-14-15-9-11-16(12-10-15)20(2,3)4/h9-13H,8,14H2,1-7H3