2-azanyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridyl]propanoic acid CAS Name: 2-amino-3-[6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-pyridyl]propionic acid Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=CC(=N2)CC(C(=O)O)N

Isomeric SMILES

CN1C=NN=C1SCC2=CC=CC(=N2)CC(C(=O)O)N

InChI

InChI=1S/C12H15N5O2S/c1-17-7-14-16-12(17)20-6-9-4-2-3-8(15-9)5-10(13)11(18)19/h2-4,7,10H,5-6,13H2,1H3,(H,18,19)