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

Systemtic Name: dimethyl 5-azanyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C12H14N4O4S2 MolecularWeight: 342.39396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CN1C=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C12H14N4O4S2/c1-16-5-14-15-12(16)21-4-6-7(10(17)19-2)9(13)22-8(6)11(18)20-3/h5H,4,13H2,1-3H3