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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C12H12N4O2S3 MolecularWeight: 340.44428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)C

InChI

InChI=1S/C12H12N4O2S3/c1-3-18-11(17)9-8(7(4-13)10(14)21-9)5-19-12-16-15-6(2)20-12/h3,5,14H2,1-2H3