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

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[5-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridine-3-carboxamide Openeye Name: 2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[5-(1-hydroxy-1-methyl-ethyl)-2-pyridyl]methyl]pyridine-3-carboxamide CAS Name: 2-(2,1,3-benzoxadiazol-5-ylthio)-N-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[5-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl]pyridine-3-carboxamide Traditional Name: 2-(benzofurazan-5-ylthio)-N-[[5-(1-hydroxy-1-methyl-ethyl)-2-pyridyl]methyl]nicotinamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3S/c1-21(2,28)13-5-6-14(23-11-13)12-24-19(27)16-4-3-9-22-20(16)30-15-7-8-17-18(10-15)26-29-25-17/h3-11,28H,12H2,1-2H3,(H,24,27)