N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C5CSCC5=NN4C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C5CSCC5=NN4C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c27-21(22-8-13-5-14(9-22)7-15(6-13)10-22)23-20-18-11-30-12-19(18)24-25(20)16-1-3-17(4-2-16)26(28)29/h1-4,13-15H,5-12H2,(H,23,27)