3-(2-tert-butylphenyl)sulfanyl-6-(3-chlorophenyl)-2-oxidanyl-pyran-4-one

Systemtic Name: 3-(2-tert-butylphenyl)sulfanyl-6-(3-chlorophenyl)-2-oxidanyl-pyran-4-one Openeye Name: 3-(2-tert-butylphenyl)sulfanyl-6-(3-chlorophenyl)-2-hydroxy-pyran-4-one CAS Name: 3-[(2-tert-butylphenyl)thio]-6-(3-chlorophenyl)-2-hydroxy-4-pyranone IUPAC Name: 3-(2-tert-butylphenyl)sulfanyl-6-(3-chlorophenyl)-2-hydroxypyran-4-one Traditional Name: 3-[(2-tert-butylphenyl)thio]-6-(3-chlorophenyl)-2-hydroxy-pyran-4-one Formula: C21H19ClO3S MolecularWeight: 386.89176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C21H19ClO3S/c1-21(2,3)15-9-4-5-10-18(15)26-19-16(23)12-17(25-20(19)24)13-7-6-8-14(22)11-13/h4-12,24H,1-3H3