(3E)-5-tert-butyl-2-methyl-4-oxidanylidene-3-[4-oxidanylidene-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: (3E)-5-tert-butyl-2-methyl-4-oxidanylidene-3-[4-oxidanylidene-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile Openeye Name: (3E)-5-tert-butyl-2-methyl-4-oxo-3-[4-oxo-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile CAS Name: (3E)-5-tert-butyl-2-methyl-4-oxo-3-[4-oxo-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: (3E)-5-tert-butyl-2-methyl-4-oxo-3-[4-oxo-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile Traditional Name: (3E)-5-tert-butyl-4-keto-3-(4-keto-6-triflyl-1H-quinazolin-2-ylidene)-2-methyl-cyclohexa-1,5-diene-1-carbonitrile Formula: C21H18F3N3O4S MolecularWeight: 465.44553

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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)C#N

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)C#N

InChI

InChI=1S/C21H18F3N3O4S/c1-10-11(9-25)7-14(20(2,3)4)17(28)16(10)18-26-15-6-5-12(8-13(15)19(29)27-18)32(30,31)21(22,23)24/h5-8,26H,1-4H3,(H,27,29)/b18-16+