2-butyl-N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-butyl-N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: 2-butyl-N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-4-methyl-thiazole-5-carboxamide CAS Name: 2-butyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-5-thiazolecarboxamide IUPAC Name: 2-butyl-N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: 2-butyl-N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-4-methyl-thiazole-5-carboxamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(S1)C(=O)NCC2=C(N=CC=C2)OC3=CC(=CC=C3)F)C

Isomeric SMILES

CCCCC1=NC(=C(S1)C(=O)NCC2=C(N=CC=C2)OC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H22FN3O2S/c1-3-4-10-18-25-14(2)19(28-18)20(26)24-13-15-7-6-11-23-21(15)27-17-9-5-8-16(22)12-17/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,24,26)