dimethyl 5-[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[4-ethyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CC=N3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CC=N3

InChI

InChI=1S/C21H21N5O5S/c1-4-26-18(16-7-5-6-8-22-16)24-25-21(26)32-12-17(27)23-15-10-13(19(28)30-2)9-14(11-15)20(29)31-3/h5-11H,4,12H2,1-3H3,(H,23,27)