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

Systemtic Name: methyl 5-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-(2-fluorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[4-(2-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H17FN4O3S MolecularWeight: 424.448083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2C3=CC=CC=C3F)C4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C21H17FN4O3S/c1-13-16(20(27)28-2)10-15(29-13)12-30-21-25-24-19(14-6-5-9-23-11-14)26(21)18-8-4-3-7-17(18)22/h3-11H,12H2,1-2H3