2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoranyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoranyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluoro-2-nitro-phenyl)acetamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-2-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-fluoro-2-nitro-phenyl)acetamide Formula: C17H15FN6O3S MolecularWeight: 402.402803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C17H15FN6O3S/c1-2-23-16(11-5-7-19-8-6-11)21-22-17(23)28-10-15(25)20-13-4-3-12(18)9-14(13)24(26)27/h3-9H,2,10H2,1H3,(H,20,25)