dimethyl 5-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H22N4O6S/c1-4-5-6-22-17(26)20-21-18(22)29-10-14(23)19-13-8-11(15(24)27-2)7-12(9-13)16(25)28-3/h7-9H,4-6,10H2,1-3H3,(H,19,23)(H,20,26)