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

Systemtic Name: diethyl 5-azanyl-3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H22N4O5S2 MolecularWeight: 414.49968

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC

InChI

InChI=1S/C16H22N4O5S2/c1-4-7-20-15(23)18-19-16(20)26-8-9-10(13(21)24-5-2)12(17)27-11(9)14(22)25-6-3/h4-8,17H2,1-3H3,(H,18,23)