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

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-2-[[4-(2-furylmethyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-2-[[4-(2-furanylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-2-[[4-(2-furfuryl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H17BrF2N4O2S MolecularWeight: 519.361786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C=C(C=C4Br)F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C=C(C=C4Br)F)F

InChI

InChI=1S/C22H17BrF2N4O2S/c1-13-4-6-14(7-5-13)21-27-28-22(29(21)11-16-3-2-8-31-16)32-12-19(30)26-20-17(23)9-15(24)10-18(20)25/h2-10H,11-12H2,1H3,(H,26,30)