4-(3-chloranyl-4-fluoranyl-phenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-5-p-anisyl-1,2,4-triazole-3-thiolate Formula: C16H12ClFN3OS- MolecularWeight: 348.802383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2C3=CC(=C(C=C3)F)Cl)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2C3=CC(=C(C=C3)F)Cl)[S-]

InChI

InChI=1S/C16H13ClFN3OS/c1-22-12-5-2-10(3-6-12)8-15-19-20-16(23)21(15)11-4-7-14(18)13(17)9-11/h2-7,9H,8H2,1H3,(H,20,23)/p-1