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

Systemtic Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C20H21N3O2S/c1-3-23-18(17-12-8-7-9-15(17)2)21-22-20(23)26-14-13-25-19(24)16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3