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

Systemtic Name: methyl 5-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[5-[(4-ethylphenoxy)methyl]-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-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC(=C(O3)C)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC(=C(O3)C)C(=O)OC

InChI

InChI=1S/C22H25N3O4S/c1-5-11-25-20(13-28-17-9-7-16(6-2)8-10-17)23-24-22(25)30-14-18-12-19(15(3)29-18)21(26)27-4/h5,7-10,12H,1,6,11,13-14H2,2-4H3