methyl 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O3S/c1-27-20(26)18-12-11-17(28-18)13-29-21-24-23-19(14-7-9-15(22)10-8-14)25(21)16-5-3-2-4-6-16/h2-12H,13H2,1H3