ethyl 4-[(5-oxidanylidene-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[(5-oxidanylidene-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-thiazole-5-carboxylate CAS Name: 4-[[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-oxo-4-pentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[(4-amyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-2-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)NN=C1SCC2=C(SC(=N2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)NN=C1SCC2=C(SC(=N2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H24N4O3S2/c1-3-5-9-12-24-19(26)22-23-20(24)28-13-15-16(18(25)27-4-2)29-17(21-15)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,22,26)