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

Systemtic Name: dimethyl 5-azanyl-3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H20N4O5S2 MolecularWeight: 400.4731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O5S2/c1-4-5-6-19-14(22)17-18-15(19)25-7-8-9(12(20)23-2)11(16)26-10(8)13(21)24-3/h4-7,16H2,1-3H3,(H,17,22)