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

Systemtic Name: 2-[[4-azanyl-5-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(4-pyridylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(4-pyridylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H11N5O2S MolecularWeight: 265.29164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

C1=CN=CC=C1CC2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C10H11N5O2S/c11-15-8(5-7-1-3-12-4-2-7)13-14-10(15)18-6-9(16)17/h1-4H,5-6,11H2,(H,16,17)