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

Systemtic Name: methyl 2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC(=O)OC)C2=CC=NC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC(=O)OC)C2=CC=NC=C2

InChI

InChI=1S/C13H15N5O3S/c1-18-12(9-3-5-14-6-4-9)16-17-13(18)22-8-10(19)15-7-11(20)21-2/h3-6H,7-8H2,1-2H3,(H,15,19)