3-[2,5-bis(trifluoromethyl)phenyl]-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[(3S)-2-oxotetrahydrofuran-3-yl]sulfanyl-quinazolin-4-one CAS Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[[(3S)-2-oxo-3-oxolanyl]thio]-4-quinazolinone IUPAC Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one Traditional Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[[(3S)-2-ketotetrahydrofuran-3-yl]thio]quinazolin-4-one Formula: C20H12F6N2O3S MolecularWeight: 474.376299

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1COC(=O)[C@H]1SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H12F6N2O3S/c21-19(22,23)10-5-6-12(20(24,25)26)14(9-10)28-16(29)11-3-1-2-4-13(11)27-18(28)32-15-7-8-31-17(15)30/h1-6,9,15H,7-8H2/t15-/m0/s1