methyl 4-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CO2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CO2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H21N3O3S/c1-13(2)17-20-21-19(22(17)11-16-5-4-10-25-16)26-12-14-6-8-15(9-7-14)18(23)24-3/h4-10,13H,11-12H2,1-3H3