N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[4-(4-methoxyphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-(4-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H17ClFN5O2S MolecularWeight: 469.919083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=CC=N4

InChI

InChI=1S/C22H17ClFN5O2S/c1-31-16-8-6-15(7-9-16)29-21(19-4-2-3-11-25-19)27-28-22(29)32-13-20(30)26-14-5-10-18(24)17(23)12-14/h2-12H,13H2,1H3,(H,26,30)