2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-fluorobenzyl)-N-methyl-propionamide Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(C)CC2=CC(=CC=C2)F)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N(C)CC2=CC(=CC=C2)F)C3=CC=NC=C3

InChI

InChI=1S/C20H22FN5OS/c1-4-26-18(16-8-10-22-11-9-16)23-24-20(26)28-14(2)19(27)25(3)13-15-6-5-7-17(21)12-15/h5-12,14H,4,13H2,1-3H3