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

Systemtic Name: diethyl 5-azanyl-3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC

InChI

InChI=1S/C16H22N4O4S2/c1-4-7-10-18-16(20-19-10)25-8-9-11(14(21)23-5-2)13(17)26-12(9)15(22)24-6-3/h4-8,17H2,1-3H3,(H,18,19,20)