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

Systemtic Name: N-(4-fluoranyl-2-nitro-phenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-fluoro-2-nitro-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-fluoro-2-nitrophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-fluoro-2-nitrophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-fluoro-2-nitro-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H13FN6O3S MolecularWeight: 388.376223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C16H13FN6O3S/c1-22-15(10-4-6-18-7-5-10)20-21-16(22)27-9-14(24)19-12-3-2-11(17)8-13(12)23(25)26/h2-8H,9H2,1H3,(H,19,24)