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

Systemtic Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one Openeye Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-oxocyclohexyl)sulfanyl-quinazolin-4-one CAS Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[(2-oxocyclohexyl)thio]-4-quinazolinone IUPAC Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(2-oxocyclohexyl)sulfanylquinazolin-4-one Traditional Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[(2-ketocyclohexyl)thio]quinazolin-4-one Formula: C22H16F6N2O2S MolecularWeight: 486.430059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16F6N2O2S/c23-21(24,25)12-9-10-14(22(26,27)28)16(11-12)30-19(32)13-5-1-2-6-15(13)29-20(30)33-18-8-4-3-7-17(18)31/h1-2,5-6,9-11,18H,3-4,7-8H2