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

Systemtic Name: ethyl 4-[2-[[4-ethyl-5-[[(3-nitrophenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[4-ethyl-5-[[(3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-ethyl-5-[[[(3-nitrophenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[4-ethyl-5-[[(3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-ethyl-5-[[(3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H24N6O6S MolecularWeight: 512.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O6S/c1-3-28-19(13-24-21(31)16-6-5-7-18(12-16)29(33)34)26-27-23(28)36-14-20(30)25-17-10-8-15(9-11-17)22(32)35-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,24,31)(H,25,30)