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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C13H15N5O2S2 MolecularWeight: 337.4205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=NC(=NN1)SCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C13H15N5O2S2/c1-3-9-16-13(18-17-9)21-6-8-7(5-14)11(15)22-10(8)12(19)20-4-2/h3-4,6,15H2,1-2H3,(H,16,17,18)