3-[2,4-bis(fluoranyl)phenyl]-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,4-difluorophenyl)-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,4-difluorophenyl)-2-[[(1S)-2-oxocyclohexyl]thio]-4-quinazolinone IUPAC Name: 3-(2,4-difluorophenyl)-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,4-difluorophenyl)-2-[[(1S)-2-ketocyclohexyl]thio]quinazolin-4-one Formula: C20H16F2N2O2S MolecularWeight: 386.415046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C20H16F2N2O2S/c21-12-9-10-16(14(22)11-12)24-19(26)13-5-1-2-6-15(13)23-20(24)27-18-8-4-3-7-17(18)25/h1-2,5-6,9-11,18H,3-4,7-8H2/t18-/m0/s1