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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O3S/c1-3-23-18(15-9-11-17(25-2)12-10-15)21-22-20(23)27-14-13-26-19(24)16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3