2-(4-tert-butylphenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: 2-(4-tert-butylphenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-(4-tert-butylphenyl)-4-[(4-methylsulfanylphenyl)methylene]oxazol-5-one CAS Name: 2-(4-tert-butylphenyl)-4-[[4-(methylthio)phenyl]methylidene]-5-oxazolone IUPAC Name: 2-(4-tert-butylphenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(4-tert-butylphenyl)-4-[4-(methylthio)benzylidene]-2-oxazolin-5-one Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)SC)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)SC)C(=O)O2

InChI

InChI=1S/C21H21NO2S/c1-21(2,3)16-9-7-15(8-10-16)19-22-18(20(23)24-19)13-14-5-11-17(25-4)12-6-14/h5-13H,1-4H3