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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H13N5O2S2 MolecularWeight: 359.42602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C3N2C=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C3N2C=CC=C3

InChI

InChI=1S/C15H13N5O2S2/c1-2-22-14(21)12-10(9(7-16)13(17)24-12)8-23-15-19-18-11-5-3-4-6-20(11)15/h3-6H,2,8,17H2,1H3