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

Systemtic Name: methyl 5-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C24H22FN3O3S MolecularWeight: 451.513183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F)C(=O)OC

InChI

InChI=1S/C24H22FN3O3S/c1-16-20(23(29)30-2)14-18(31-16)15-32-24-27-26-22(19-10-6-7-11-21(19)25)28(24)13-12-17-8-4-3-5-9-17/h3-11,14H,12-13,15H2,1-2H3