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

Systemtic Name: ethyl 4-[2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3Br

InChI

InChI=1S/C21H21BrN4O3S/c1-3-26-19(16-7-5-6-8-17(16)22)24-25-21(26)30-13-18(27)23-15-11-9-14(10-12-15)20(28)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,23,27)