2-[(4-tert-butylphenyl)methylsulfanyl]chromen-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]chromen-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]chromen-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-1-benzopyran-4-one IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]chromen-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]chromone Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C20H20O2S/c1-20(2,3)15-10-8-14(9-11-15)13-23-19-12-17(21)16-6-4-5-7-18(16)22-19/h4-12H,13H2,1-3H3