2-chloranyl-5-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate

Systemtic Name: 2-chloranyl-5-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 2-chloro-5-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 2-chloro-5-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C15H8ClFN3O2S- MolecularWeight: 348.759323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-])F

InChI

InChI=1S/C15H9ClFN3O2S/c16-12-6-5-10(7-11(12)14(21)22)20-13(18-19-15(20)23)8-1-3-9(17)4-2-8/h1-7H,(H,19,23)(H,21,22)/p-1