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

Systemtic Name: diethyl 5-azanyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C13H16N4O4S2 MolecularWeight: 356.42054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC=NN2)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC=NN2)C(=O)OCC)N

InChI

InChI=1S/C13H16N4O4S2/c1-3-20-11(18)8-7(5-22-13-15-6-16-17-13)9(23-10(8)14)12(19)21-4-2/h6H,3-5,14H2,1-2H3,(H,15,16,17)