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

Systemtic Name: methyl 3-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(OC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(OC=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-4-10-22-17(13-5-7-15(24-2)8-6-13)20-21-19(22)27-12-14-9-11-26-16(14)18(23)25-3/h4-9,11H,1,10,12H2,2-3H3