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

Systemtic Name: ethyl 4-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NN(C=N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NN(C=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4O3S/c1-2-23-15(22)9-6-10-17-14(21)11-24-16-18-12-20(19-16)13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H,17,21)