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

Systemtic Name: ethyl 3-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C12H14N4O3S2 MolecularWeight: 326.39456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=NN2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=NN2)C

InChI

InChI=1S/C12H14N4O3S2/c1-3-19-11(18)10-7(2)4-9(21-10)15-8(17)5-20-12-13-6-14-16-12/h4,6H,3,5H2,1-2H3,(H,15,17)(H,13,14,16)