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

Systemtic Name: dimethyl 2-[2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(5-ethyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(5-ethyl-4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=NN=C(N1C(C)C)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H24N4O5S/c1-6-15-21-22-19(23(15)11(2)3)29-10-16(24)20-14-9-12(17(25)27-4)7-8-13(14)18(26)28-5/h7-9,11H,6,10H2,1-5H3,(H,20,24)