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

Systemtic Name: (2E)-2-(5-tert-butyl-2-methyl-3-methylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one Openeye Name: (2E)-2-(5-tert-butyl-2-methyl-3-methylsulfonyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one CAS Name: (2E)-2-(5-tert-butyl-2-methyl-3-methylsulfonyl-6-oxo-1-cyclohexa-2,4-dienylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one IUPAC Name: (2E)-2-(5-tert-butyl-2-methyl-3-methylsulfonyl-6-oxocyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one Traditional Name: (2E)-2-(5-tert-butyl-6-keto-3-mesyl-2-methyl-cyclohexa-2,4-dien-1-ylidene)-6-triflyl-1H-quinazolin-4-one Formula: C21H21F3N2O6S2 MolecularWeight: 518.52645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)(=O)C

Isomeric SMILES

CC\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)(=O)C

InChI

InChI=1S/C21H21F3N2O6S2/c1-10-15(33(5,29)30)9-13(20(2,3)4)17(27)16(10)18-25-14-7-6-11(8-12(14)19(28)26-18)34(31,32)21(22,23)24/h6-9,25H,1-5H3,(H,26,28)/b18-16+