dimethyl 5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=NN2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=NN2)C(=O)OC

InChI

InChI=1S/C14H14N4O5S/c1-22-12(20)8-3-9(13(21)23-2)5-10(4-8)17-11(19)6-24-14-15-7-16-18-14/h3-5,7H,6H2,1-2H3,(H,17,19)(H,15,16,18)