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

Systemtic Name: (2E)-2-(5-tert-butyl-3-chloranyl-2-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one Openeye Name: (2E)-2-(5-tert-butyl-3-chloro-2-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one CAS Name: (2E)-2-(5-tert-butyl-3-chloro-2-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one IUPAC Name: (2E)-2-(5-tert-butyl-3-chloro-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-6-(trifluoromethylsulfonyl)-1H-quinazolin-4-one Traditional Name: (2E)-2-(5-tert-butyl-3-chloro-6-keto-2-methyl-cyclohexa-2,4-dien-1-ylidene)-6-triflyl-1H-quinazolin-4-one Formula: C20H18ClF3N2O4S MolecularWeight: 474.88113

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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)Cl

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)Cl

InChI

InChI=1S/C20H18ClF3N2O4S/c1-9-13(21)8-12(19(2,3)4)16(27)15(9)17-25-14-6-5-10(7-11(14)18(28)26-17)31(29,30)20(22,23)24/h5-8,25H,1-4H3,(H,26,28)/b17-15+