ethyl 5-ethyl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NC=NN2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NC=NN2)C(=O)OCC

InChI

InChI=1S/C13H16N4O3S2/c1-3-8-5-9(12(19)20-4-2)11(22-8)16-10(18)6-21-13-14-7-15-17-13/h5,7H,3-4,6H2,1-2H3,(H,16,18)(H,14,15,17)