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

Systemtic Name: diethyl 5-azanyl-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S2/c1-4-25-18(13-10-8-7-9-11-13)23-24-21(25)30-12-14-15(19(26)28-5-2)17(22)31-16(14)20(27)29-6-3/h7-11H,4-6,12,22H2,1-3H3