diethyl 5-azanyl-3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H24N4O5S2 MolecularWeight: 428.52626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC

InChI

InChI=1S/C17H24N4O5S2/c1-4-7-8-21-16(24)19-20-17(21)27-9-10-11(14(22)25-5-2)13(18)28-12(10)15(23)26-6-3/h4-9,18H2,1-3H3,(H,19,24)