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

Systemtic Name: ethyl 5-azanyl-3-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C12H14N6O2S2 MolecularWeight: 338.40856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2N)C

InChI

InChI=1S/C12H14N6O2S2/c1-3-20-11(19)9-8(7(4-13)10(14)22-9)5-21-12-17-16-6(2)18(12)15/h3,5,14-15H2,1-2H3