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

Systemtic Name: methyl 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H14FN3O3S MolecularWeight: 347.364063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(OC=C2)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCC2=C(OC=C2)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN3O3S/c1-20-14(10-3-5-12(17)6-4-10)18-19-16(20)24-9-11-7-8-23-13(11)15(21)22-2/h3-8H,9H2,1-2H3