ethyl 4-[2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C15H20N6O3S MolecularWeight: 364.4227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C15H20N6O3S/c1-2-24-13(23)6-4-8-18-12(22)10-25-15-20-19-14(21(15)16)11-5-3-7-17-9-11/h3,5,7,9H,2,4,6,8,10,16H2,1H3,(H,18,22)