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

Systemtic Name: N-[(5R)-2-(2-methylphenyl)-5-oxidanylidene-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[(5R)-2-(o-tolyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[(5R)-2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-adamantanecarboxamide IUPAC Name: N-[(5R)-2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[(5R)-5-keto-2-(o-tolyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=C3C[S@@](=O)CC3=N2)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H27N3O2S/c1-14-4-2-3-5-20(14)26-21(18-12-29(28)13-19(18)25-26)24-22(27)23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,15-17H,6-13H2,1H3,(H,24,27)/t15?,16?,17?,23?,29-/m1/s1