N-[5,5-bis(oxidanylidene)-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[5,5-bis(oxidanylidene)-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)adamantane-1-carboxamide CAS Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-adamantanecarboxamide IUPAC Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)adamantane-1-carboxamide Traditional Name: N-(5,5-diketo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)adamantane-1-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C5CS(=O)(=O)CC5=NN4C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C5CS(=O)(=O)CC5=NN4C6=CC=CC=C6

InChI

InChI=1S/C22H25N3O3S/c26-21(22-9-14-6-15(10-22)8-16(7-14)11-22)23-20-18-12-29(27,28)13-19(18)24-25(20)17-4-2-1-3-5-17/h1-5,14-16H,6-13H2,(H,23,26)