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

Systemtic Name: dimethyl 5-azanyl-3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C11H13N5O4S2 MolecularWeight: 343.38202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NNC(=N2)N)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NNC(=N2)N)C(=O)OC)N

InChI

InChI=1S/C11H13N5O4S2/c1-19-8(17)5-4(3-21-11-14-10(13)15-16-11)6(9(18)20-2)22-7(5)12/h3,12H2,1-2H3,(H3,13,14,15,16)