dimethyl 5-azanyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(1H-1,2,4-triazol-5-ylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1H-1,2,4-triazol-5-ylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C11H12N4O4S2 MolecularWeight: 328.36738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC=NN2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC=NN2)C(=O)OC)N

InChI

InChI=1S/C11H12N4O4S2/c1-18-9(16)6-5(3-20-11-13-4-14-15-11)7(10(17)19-2)21-8(6)12/h4H,3,12H2,1-2H3,(H,13,14,15)