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

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-(2,1,3-benzoxadiazol-5-ylthio)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,1,3-benzoxadiazol-5-ylsulfanyl)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(benzofurazan-5-ylthio)-N-[4-(1-hydroxy-1-methyl-ethyl)benzyl]nicotinamide Formula: C22H20N4O3S MolecularWeight: 420.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-22(2,28)15-7-5-14(6-8-15)13-24-20(27)17-4-3-11-23-21(17)30-16-9-10-18-19(12-16)26-29-25-18/h3-12,28H,13H2,1-2H3,(H,24,27)