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

Systemtic Name: ethyl 2-[4-methyl-5-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[[2-oxo-2-(2-phenoxyethylamino)ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-keto-2-(2-phenoxyethylamino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC(=O)NCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC(=O)NCCOC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O4S/c1-3-24-16(23)11-14-19-20-17(21(14)2)26-12-15(22)18-9-10-25-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,18,22)