ethanoyl fluoride; 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine

Systemtic Name: ethanoyl fluoride; 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine Openeye Name: acetyl fluoride; 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine CAS Name: acetyl fluoride; 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanamine IUPAC Name: acetyl fluoride; 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine Traditional Name: acetyl fluoride; [1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amine Formula: C16H20F3N5O5S MolecularWeight: 451.42071

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC(=CC(=C1)[N+](=O)[O-])C(CSC2=NC=NN2)N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC(=CC(=C1)[N+](=O)[O-])C(CSC2=NC=NN2)N

InChI

InChI=1S/C10H11N5O2S.3C2H3FO/c11-9(5-18-10-12-6-13-14-10)7-2-1-3-8(4-7)15(16)17;3*1-2(3)4/h1-4,6,9H,5,11H2,(H,12,13,14);3*1H3