N-(4-fluoranyl-3-nitro-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C14H16FN5O4S MolecularWeight: 369.371343

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C14H16FN5O4S/c1-3-6-19-13(22)17-18-14(19)25-8(2)12(21)16-9-4-5-10(15)11(7-9)20(23)24/h4-5,7-8H,3,6H2,1-2H3,(H,16,21)(H,17,22)