N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-methylsulfanyl-pyrazole-1-carboxamide

Systemtic Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-methylsulfanyl-pyrazole-1-carboxamide Openeye Name: N-[(2S,3R)-2-methylquinuclidin-3-yl]-4-methylsulfanyl-pyrazole-1-carboxamide CAS Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-(methylthio)-1-pyrazolecarboxamide IUPAC Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-methylsulfanylpyrazole-1-carboxamide Traditional Name: N-[(2S,3R)-2-methylquinuclidin-3-yl]-4-(methylthio)pyrazole-1-carboxamide Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)N3C=C(C=N3)SC

Isomeric SMILES

C[C@H]1[C@@H](C2CCN1CC2)NC(=O)N3C=C(C=N3)SC

InChI

InChI=1S/C13H20N4OS/c1-9-12(10-3-5-16(9)6-4-10)15-13(18)17-8-11(19-2)7-14-17/h7-10,12H,3-6H2,1-2H3,(H,15,18)/t9-,12-/m0/s1