4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile; sulfuric acid

Systemtic Name: 4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile; sulfuric acid Openeye Name: 4-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile; sulfuric acid CAS Name: 4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2-pyridinecarbonitrile; sulfuric acid IUPAC Name: 4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile; sulfuric acid Traditional Name: 4-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]picolinonitrile; sulfuric acid Formula: C13H10N6O4S MolecularWeight: 346.3213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N.OS(=O)(=O)O

Isomeric SMILES

C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N.OS(=O)(=O)O

InChI

InChI=1S/C13H8N6.H2O4S/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9;1-5(2,3)4/h1-7H,(H,17,18,19);(H2,1,2,3,4)