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

Systemtic Name: methyl 3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-4-23-18(15-8-10-17(25-2)11-9-15)21-22-20(23)27-13-14-6-5-7-16(12-14)19(24)26-3/h5-12H,4,13H2,1-3H3