(6E)-2-tert-butyl-5-methyl-4-methylsulfanyl-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-tert-butyl-5-methyl-4-methylsulfanyl-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-tert-butyl-5-methyl-4-methylsulfanyl-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-tert-butyl-5-methyl-4-(methylthio)-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-tert-butyl-5-methyl-4-methylsulfanyl-6-[5-(trifluoromethylsulfonyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-tert-butyl-5-methyl-4-(methylthio)-6-(5-triflyl-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C20H21F3N2O3S2 MolecularWeight: 458.51755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=O)C1=C2NC3=C(N2)C=C(C=C3)S(=O)(=O)C(F)(F)F)C(C)(C)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N2O3S2/c1-10-15(29-5)9-12(19(2,3)4)17(26)16(10)18-24-13-7-6-11(8-14(13)25-18)30(27,28)20(21,22)23/h6-9,24-25H,1-5H3/b18-16+