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

Systemtic Name: phenyl 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: phenyl 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid phenyl ester IUPAC Name: phenyl 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid phenyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC2=CC=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C19H19N3O2S/c1-3-22-18(16-12-8-7-9-14(16)2)20-21-19(22)25-13-17(23)24-15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3