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

Systemtic Name: (2E)-2-(5-tert-butyl-3-fluoranyl-2-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methylsulfonyl-1H-quinazolin-4-one Openeye Name: (2E)-2-(5-tert-butyl-3-fluoro-2-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methylsulfonyl-1H-quinazolin-4-one CAS Name: (2E)-2-(5-tert-butyl-3-fluoro-2-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methylsulfonyl-1H-quinazolin-4-one IUPAC Name: (2E)-2-(5-tert-butyl-3-fluoro-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methylsulfonyl-1H-quinazolin-4-one Traditional Name: (2E)-2-(5-tert-butyl-3-fluoro-6-keto-2-methyl-cyclohexa-2,4-dien-1-ylidene)-6-mesyl-1H-quinazolin-4-one Formula: C20H21FN2O4S MolecularWeight: 404.455143

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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)C(=O)N2)C(C)(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O4S/c1-10-14(21)9-13(20(2,3)4)17(24)16(10)18-22-15-7-6-11(28(5,26)27)8-12(15)19(25)23-18/h6-9,22H,1-5H3,(H,23,25)/b18-16+