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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(1-methyl-2-imidazolyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(1-methylimidazol-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C13H14N4O2S2 MolecularWeight: 322.40586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CN2C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CN2C

InChI

InChI=1S/C13H14N4O2S2/c1-3-19-12(18)10-9(8(6-14)11(15)21-10)7-20-13-16-4-5-17(13)2/h4-5H,3,7,15H2,1-2H3