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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H22N6O3S2 MolecularWeight: 422.52498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)N3CCOCC3

InChI

InChI=1S/C17H22N6O3S2/c1-3-23-16(22-5-7-25-8-6-22)20-21-17(23)27-10-12-11(9-18)14(19)28-13(12)15(24)26-4-2/h3-8,10,19H2,1-2H3