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

Systemtic Name: (phenylmethyl) 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid benzyl ester Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3Br

InChI

InChI=1S/C19H18BrN3O2S/c1-2-23-18(15-10-6-7-11-16(15)20)21-22-19(23)26-13-17(24)25-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3