diethyl 5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=CN2C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=CN2C)C(=O)OCC

InChI

InChI=1S/C17H20N4O5S/c1-4-25-15(23)11-6-12(16(24)26-5-2)8-13(7-11)19-14(22)9-27-17-20-18-10-21(17)3/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)