ethyl 4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-ethyl-5-propyl-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:

CCCC1=NN=C(N1CC)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H24N4O3S/c1-4-7-15-20-21-18(22(15)5-2)26-12-16(23)19-14-10-8-13(9-11-14)17(24)25-6-3/h8-11H,4-7,12H2,1-3H3,(H,19,23)