6-[5-(6-cyanopyridin-2-yl)-1-[(3-nitrophenyl)methyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile

Systemtic Name: 6-[5-(6-cyanopyridin-2-yl)-1-[(3-nitrophenyl)methyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile Openeye Name: 6-[5-(6-cyano-2-pyridyl)-1-[(3-nitrophenyl)methyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile CAS Name: 6-[5-(6-cyano-2-pyridinyl)-1-[(3-nitrophenyl)methyl]-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile IUPAC Name: 6-[5-(6-cyanopyridin-2-yl)-1-[(3-nitrophenyl)methyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile Traditional Name: 6-[5-(6-cyano-2-pyridyl)-1-(3-nitrobenzyl)-1,2,4-triazol-3-yl]picolinonitrile Formula: C21H12N8O2 MolecularWeight: 408.37238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C(=NC(=N2)C3=CC=CC(=N3)C#N)C4=CC=CC(=N4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C(=NC(=N2)C3=CC=CC(=N3)C#N)C4=CC=CC(=N4)C#N

InChI

InChI=1S/C21H12N8O2/c22-11-15-5-2-8-18(24-15)20-26-21(19-9-3-6-16(12-23)25-19)28(27-20)13-14-4-1-7-17(10-14)29(30)31/h1-10H,13H2