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

Systemtic Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-nitro-phenyl)acetamide CAS Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-nitrophenyl)acetamide IUPAC Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-nitrophenyl)acetamide Traditional Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-nitro-phenyl)acetamide Formula: C13H14FN5O3S MolecularWeight: 339.345363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FN5O3S/c1-3-18-8(2)16-17-13(18)23-7-12(20)15-9-4-5-11(19(21)22)10(14)6-9/h4-6H,3,7H2,1-2H3,(H,15,20)