2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[4-(2-oxidanylpropan-2-yl)cyclopenten-1-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[4-(2-oxidanylpropan-2-yl)cyclopenten-1-yl]methyl]pyridine-3-carboxamide Openeye Name: 2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[4-(1-hydroxy-1-methyl-ethyl)cyclopenten-1-yl]methyl]pyridine-3-carboxamide CAS Name: 2-(2,1,3-benzoxadiazol-5-ylthio)-N-[[4-(2-hydroxypropan-2-yl)-1-cyclopentenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[4-(2-hydroxypropan-2-yl)cyclopenten-1-yl]methyl]pyridine-3-carboxamide Traditional Name: 2-(benzofurazan-5-ylthio)-N-[[4-(1-hydroxy-1-methyl-ethyl)cyclopenten-1-yl]methyl]nicotinamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC=C(C1)CNC(=O)C2=C(N=CC=C2)SC3=CC4=NON=C4C=C3)O

Isomeric SMILES

CC(C)(C1CC=C(C1)CNC(=O)C2=C(N=CC=C2)SC3=CC4=NON=C4C=C3)O

InChI

InChI=1S/C21H22N4O3S/c1-21(2,27)14-6-5-13(10-14)12-23-19(26)16-4-3-9-22-20(16)29-15-7-8-17-18(11-15)25-28-24-17/h3-5,7-9,11,14,27H,6,10,12H2,1-2H3,(H,23,26)