ethyl 5-azanyl-4-cyano-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(1,3,4-thiadiazol-2-ylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C11H10N4O2S3 MolecularWeight: 326.4177

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=CS2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=CS2

InChI

InChI=1S/C11H10N4O2S3/c1-2-17-10(16)8-7(6(3-12)9(13)20-8)4-18-11-15-14-5-19-11/h5H,2,4,13H2,1H3