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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C13H13N5O3S2 MolecularWeight: 351.40402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3S2/c1-3-21-12(20)10-7(2)8(4-14)11(23-10)17-9(19)5-22-13-15-6-16-18-13/h6H,3,5H2,1-2H3,(H,17,19)(H,15,16,18)