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

Systemtic Name: 1,3-benzodioxol-5-yl 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C

InChI

InChI=1S/C20H19N3O4S/c1-3-23-19(15-7-5-4-6-13(15)2)21-22-20(23)28-11-18(24)27-14-8-9-16-17(10-14)26-12-25-16/h4-10H,3,11-12H2,1-2H3