2-tert-butyl-2-methyl-5-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2-tert-butyl-2-methyl-5-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-2-methyl-5-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylene]-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-2-methyl-5-[[3-nitro-4-(1H-1,2,4-triazol-5-ylthio)phenyl]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-2-methyl-5-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-2-methyl-5-[3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzylidene]-1,3-dioxane-4,6-quinone Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=NN3)[N+](=O)[O-])C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=NN3)[N+](=O)[O-])C(=O)O1)C(C)(C)C

InChI

InChI=1S/C18H18N4O6S/c1-17(2,3)18(4)27-14(23)11(15(24)28-18)7-10-5-6-13(12(8-10)22(25)26)29-16-19-9-20-21-16/h5-9H,1-4H3,(H,19,20,21)