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

Systemtic Name: N-[2-tert-butyl-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-nitro-benzamide CAS Name: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide IUPAC Name: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide Traditional Name: N-(2-tert-butyl-5,5-diketo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-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(12-8-26(24,25)9-13(12)18-19)17-15(21)10-5-4-6-11(7-10)20(22)23/h4-7H,8-9H2,1-3H3,(H,17,21)