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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C19H19N5O2S2/c1-3-11-5-7-12(8-6-11)17-22-19(24-23-17)27-10-14-13(9-20)16(21)28-15(14)18(25)26-4-2/h5-8H,3-4,10,21H2,1-2H3,(H,22,23,24)