N-[2,4-bis(fluoranyl)phenyl]-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2,4-difluorophenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,4-difluorophenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,4-difluorophenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2,4-difluorophenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H18F3N5OS MolecularWeight: 457.47143

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H18F3N5OS/c1-29-10-2-3-17(29)12-20-27-28-22(30(20)16-7-4-14(23)5-8-16)32-13-21(31)26-19-9-6-15(24)11-18(19)25/h2-11H,12-13H2,1H3,(H,26,31)