4-(3-chloranyl-4-fluoranyl-phenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-4-fluorophenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-4-fluorophenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C16H12ClFN3O2S- MolecularWeight: 364.801783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)F)Cl)[S-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)F)Cl)[S-])OC

InChI

InChI=1S/C16H13ClFN3O2S/c1-22-13-6-3-9(7-14(13)23-2)15-19-20-16(24)21(15)10-4-5-12(18)11(17)8-10/h3-8H,1-2H3,(H,20,24)/p-1