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

Systemtic Name: methyl 2-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC(=O)OC)C2=CC=NC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC(=O)OC)C2=CC=NC=C2

InChI

InChI=1S/C14H17N5O3S/c1-3-19-13(10-4-6-15-7-5-10)17-18-14(19)23-9-11(20)16-8-12(21)22-2/h4-7H,3,8-9H2,1-2H3,(H,16,20)