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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(1,2,4-triazol-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C=NC=N2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C=NC=N2)C#N)C

InChI

InChI=1S/C13H13N5O3S/c1-3-21-13(20)11-8(2)9(4-14)12(22-11)17-10(19)5-18-7-15-6-16-18/h6-7H,3,5H2,1-2H3,(H,17,19)