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

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-4-fluorophenyl)-5-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-4-fluorophenyl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate Formula: C21H13ClFN6S- MolecularWeight: 435.884523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=NN=C(N3C4=CC(=C(C=C4)F)Cl)[S-])C5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=NN=C(N3C4=CC(=C(C=C4)F)Cl)[S-])C5=CC=CC=N5

InChI

InChI=1S/C21H14ClFN6S/c22-14-11-13(8-9-15(14)23)29-19(26-27-21(29)30)12-28-18-7-2-1-5-16(18)25-20(28)17-6-3-4-10-24-17/h1-11H,12H2,(H,27,30)/p-1