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

Systemtic Name: ethyl 2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4O3S/c1-3-20-15(12-8-6-5-7-9-12)18-19-16(20)24-11-13(21)17-10-14(22)23-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,17,21)