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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H14FN5O3S/c1-7(2)12-16-13(18-17-12)23-6-11(20)15-8-3-4-9(14)10(5-8)19(21)22/h3-5,7H,6H2,1-2H3,(H,15,20)(H,16,17,18)