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

Systemtic Name: methyl 5-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C19H18FN3O3S/c1-4-9-23-17(13-5-7-14(20)8-6-13)21-22-19(23)27-11-15-10-16(12(2)26-15)18(24)25-3/h4-8,10H,1,9,11H2,2-3H3