N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H18BrF2N5O2S MolecularWeight: 546.387126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3Br)F)F)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3Br)F)F)C4=CN=CC=C4

InChI

InChI=1S/C23H18BrF2N5O2S/c1-2-33-17-7-5-16(6-8-17)31-22(14-4-3-9-27-12-14)29-30-23(31)34-13-20(32)28-21-18(24)10-15(25)11-19(21)26/h3-12H,2,13H2,1H3,(H,28,32)