N-[[2-fluoranyl-4-(2-oxidanylpropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[2-fluoranyl-4-(2-oxidanylpropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[[2-fluoro-4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(2-methyl-5-benzotriazolyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)sulfanylpyridine-3-carboxamide Traditional Name: N-[2-fluoro-4-(1-hydroxy-1-methyl-ethyl)benzyl]-2-[(2-methylbenzotriazol-5-yl)thio]nicotinamide Formula: C23H22FN5O2S MolecularWeight: 451.516483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN5O2S/c1-23(2,31)15-7-6-14(18(24)11-15)13-26-21(30)17-5-4-10-25-22(17)32-16-8-9-19-20(12-16)28-29(3)27-19/h4-12,31H,13H2,1-3H3,(H,26,30)