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

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-4-fluorophenyl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-4-fluorophenyl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H13ClFN3O2S MolecularWeight: 365.809723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl)OC

InChI

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