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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=NN2C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=NN2C

InChI

InChI=1S/C11H12N6O2S2/c1-3-19-10(18)8-7(6(4-12)9(13)21-8)5-20-11-14-15-16-17(11)2/h3,5,13H2,1-2H3