5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-methylsulfanyl-methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-(methylthio)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(NC2=NNC(=C2)C(C)(C)C)SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(NC2=NNC(=C2)C(C)(C)C)SC)C(=O)O1)C

InChI

InChI=1S/C15H21N3O4S/c1-14(2,3)8-7-9(18-17-8)16-11(23-6)10-12(19)21-15(4,5)22-13(10)20/h7H,1-6H3,(H2,16,17,18)