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

Systemtic Name: ethyl 5-azanyl-3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C11H11N5O2S3 MolecularWeight: 341.43234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N5O2S3/c1-2-18-9(17)7-6(5(3-12)8(13)20-7)4-19-11-16-15-10(14)21-11/h2,4,13H2,1H3,(H2,14,15)