N-[2-tert-butyl-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-nitro-benzamide

Systemtic Name: N-[2-tert-butyl-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-nitro-benzamide Openeye Name: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-nitro-benzamide CAS Name: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-nitrobenzamide IUPAC Name: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-nitrobenzamide Traditional Name: N-(2-tert-butyl-5,5-diketo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-nitro-benzamide Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-16(2,3)19-14(11-8-26(24,25)9-12(11)18-19)17-15(21)10-6-4-5-7-13(10)20(22)23/h4-7H,8-9H2,1-3H3,(H,17,21)