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

Systemtic Name: ethyl 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC)C2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H16BrN3O2S/c1-3-18-13(10-5-7-11(15)8-6-10)16-17-14(18)21-9-12(19)20-4-2/h5-8H,3-4,9H2,1-2H3