N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-2-(1-ketophthalazin-2-yl)acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2)C4CCS(=O)(=O)C4

InChI

InChI=1S/C21H25N5O4S/c1-21(2,3)17-10-18(26(24-17)15-8-9-31(29,30)13-15)23-19(27)12-25-20(28)16-7-5-4-6-14(16)11-22-25/h4-7,10-11,15H,8-9,12-13H2,1-3H3,(H,23,27)