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

Systemtic Name: ethyl 5-azanyl-3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H18ClN5O2S2 MolecularWeight: 447.96152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN5O2S2/c1-3-25-17(11-5-7-12(20)8-6-11)23-24-19(25)28-10-14-13(9-21)16(22)29-15(14)18(26)27-4-2/h5-8H,3-4,10,22H2,1-2H3