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

Systemtic Name: ethyl 2-[[4-methyl-5-[(2-phenylethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[[(1-oxo-2-phenylethyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C)CNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C)CNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N4O3S/c1-3-23-15(22)11-24-16-19-18-13(20(16)2)10-17-14(21)9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,17,21)