(2E)-2-(5-tert-butyl-2-ethyl-3-methylsulfinyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one

Systemtic Name: (2E)-2-(5-tert-butyl-2-ethyl-3-methylsulfinyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one Openeye Name: (2E)-2-(5-tert-butyl-2-ethyl-3-methylsulfinyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one CAS Name: (2E)-2-(5-tert-butyl-2-ethyl-3-methylsulfinyl-6-oxo-1-cyclohexa-2,4-dienylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one IUPAC Name: (2E)-2-(5-tert-butyl-2-ethyl-3-methylsulfinyl-6-oxocyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one Traditional Name: (2E)-2-(5-tert-butyl-2-ethyl-6-keto-3-methylsulfinyl-cyclohexa-2,4-dien-1-ylidene)-6-triflyl-1H-quinazolin-4-one Formula: C22H23F3N2O5S2 MolecularWeight: 516.55363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=O)C1=C2NC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)C(=O)N2)C(C)(C)C)S(=O)C

Isomeric SMILES

CCC\1=C(C=C(C(=O)/C1=C/2\NC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)C(=O)N2)C(C)(C)C)S(=O)C

InChI

InChI=1S/C22H23F3N2O5S2/c1-6-12-16(33(5)30)10-14(21(2,3)4)18(28)17(12)19-26-15-8-7-11(9-13(15)20(29)27-19)34(31,32)22(23,24)25/h7-10,26H,6H2,1-5H3,(H,27,29)/b19-17+