N-(2-bromanyl-4-methyl-phenyl)-2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-(2-fluorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(2-fluorophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H18BrFN4O2S MolecularWeight: 501.371323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4F)Br

InChI

InChI=1S/C22H18BrFN4O2S/c1-14-8-9-19(17(23)11-14)25-20(29)13-31-22-27-26-21(16-6-2-3-7-18(16)24)28(22)12-15-5-4-10-30-15/h2-11H,12-13H2,1H3,(H,25,29)