ethyl 5-azanyl-4-cyano-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(1H-1,2,4-triazol-5-ylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C11H11N5O2S2 MolecularWeight: 309.36734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N5O2S2/c1-2-18-10(17)8-7(6(3-12)9(13)20-8)4-19-11-14-5-15-16-11/h5H,2,4,13H2,1H3,(H,14,15,16)