ethyl 5-azanyl-4-cyano-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C14H12N6O2S2 MolecularWeight: 360.41408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN3C=CC=NC3=N2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN3C=CC=NC3=N2

InChI

InChI=1S/C14H12N6O2S2/c1-2-22-12(21)10-9(8(6-15)11(16)24-10)7-23-14-18-13-17-4-3-5-20(13)19-14/h3-5H,2,7,16H2,1H3