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

Systemtic Name: diethyl 5-azanyl-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H22N4O4S3 MolecularWeight: 466.59738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(SC(=C2C(=O)OCC)N)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C19H22N4O4S3/c1-4-23-16(12-8-7-9-28-12)21-22-19(23)29-10-11-13(17(24)26-5-2)15(20)30-14(11)18(25)27-6-3/h7-9H,4-6,10,20H2,1-3H3