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

Systemtic Name: (4-bromophenyl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-bromophenyl)methyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-bromobenzyl) ester Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC=C(C=C2)Br)C3=CC=CS3

InChI

InChI=1S/C17H16BrN3O2S2/c1-2-21-16(14-4-3-9-24-14)19-20-17(21)25-11-15(22)23-10-12-5-7-13(18)8-6-12/h3-9H,2,10-11H2,1H3