methyl 4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=C(OC=C3)C

InChI

InChI=1S/C18H19N3O3S/c1-4-21-16(15-9-10-24-12(15)2)19-20-18(21)25-11-13-5-7-14(8-6-13)17(22)23-3/h5-10H,4,11H2,1-3H3