N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[5-[[2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C32H27FN6O4S MolecularWeight: 610.657983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)CNC(=O)C6=CC=CO6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)CNC(=O)C6=CC=CO6

InChI

InChI=1S/C32H27FN6O4S/c1-42-25-15-11-21(12-16-25)26-18-27(22-9-13-23(33)14-10-22)39(37-26)30(40)20-44-32-36-35-29(38(32)24-6-3-2-4-7-24)19-34-31(41)28-8-5-17-43-28/h2-17,27H,18-20H2,1H3,(H,34,41)