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

Systemtic Name: (4-ethanoylphenyl) 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-4-24-20(18-8-6-5-7-14(18)2)22-23-21(24)28-13-19(26)27-17-11-9-16(10-12-17)15(3)25/h5-12H,4,13H2,1-3H3