ethyl 5-azanyl-3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C11H12N6O2S2 MolecularWeight: 324.38198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H12N6O2S2/c1-2-19-9(18)7-6(5(3-12)8(13)21-7)4-20-11-15-10(14)16-17-11/h2,4,13H2,1H3,(H3,14,15,16,17)