2-[2-azanyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[2-azanyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[2-amino-5-(2-fluorophenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[2-amino-5-(2-fluorophenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[2-amino-5-(2-fluorophenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[2-amino-5-(2-fluorophenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanone Formula: C16H12FN4O3S+ MolecularWeight: 359.354883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=N[N+](=C(S2)N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)C2=N[N+](=C(S2)N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C16H11FN4O3S/c17-13-4-2-1-3-12(13)15-19-20(16(18)25-15)9-14(22)10-5-7-11(8-6-10)21(23)24/h1-8,18H,9H2/p+1