2-[(4-prop-2-enyl-5-pyridin-2-yl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-prop-2-enyl-5-pyridin-2-yl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-(2-pyridyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-prop-2-enyl-5-(2-pyridinyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid IUPAC Name: 2-[(4-prop-2-enyl-5-pyridin-2-yl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-(2-pyridyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid Formula: C12H13N4O2S+ MolecularWeight: 277.32222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(NN=C1SCC(=O)O)C2=CC=CC=N2

Isomeric SMILES

C=CC[N+]1=C(NN=C1SCC(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C12H12N4O2S/c1-2-7-16-11(9-5-3-4-6-13-9)14-15-12(16)19-8-10(17)18/h2-6H,1,7-8H2,(H,17,18)/p+1