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

Systemtic Name: 2-chloranyl-5-[3-(2-oxidanidylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 2-chloro-5-[3-(2-oxidophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[3-(2-oxidophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-[3-(2-oxidophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 2-chloro-5-[3-(2-oxidophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C15H8ClN3O3S-2 MolecularWeight: 345.76032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-])[O-]

InChI

InChI=1S/C15H10ClN3O3S/c16-11-6-5-8(7-10(11)14(21)22)19-13(17-18-15(19)23)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,23)(H,21,22)/p-2