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

Systemtic Name: diethyl 5-azanyl-3-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(SC(=C3C(=O)OCC)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(SC(=C3C(=O)OCC)N)C(=O)OCC

InChI

InChI=1S/C21H25N5O5S2/c1-4-29-13-9-7-12(8-10-13)18-24-25-21(26(18)23)32-11-14-15(19(27)30-5-2)17(22)33-16(14)20(28)31-6-3/h7-10H,4-6,11,22-23H2,1-3H3