2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C(=O)O)SC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C11H13N5O2S/c1-11(2,9(17)18)19-10-15-14-8(16(10)12)7-4-3-5-13-6-7/h3-6H,12H2,1-2H3,(H,17,18)