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

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

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC)C(C)C

InChI

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