ethyl 4-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H24N4O3S/c1-3-5-6-11-22-13-19-21-18(22)26-12-16(23)20-15-9-7-14(8-10-15)17(24)25-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,20,23)