4-(2-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 4-(2-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 4-[2-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]-1-oxido-pyridin-1-ium CAS Name: 4-(2-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-1-oxidopyridin-1-ium IUPAC Name: 4-(2-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-1-oxidopyridin-1-ium Traditional Name: 4-[2-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]-1-oxido-pyridin-1-ium Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C2=CC=NC=C2)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CN1C(=NC(=N1)C2=CC=NC=C2)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C13H11N5O/c1-17-13(11-4-8-18(19)9-5-11)15-12(16-17)10-2-6-14-7-3-10/h2-9H,1H3