3-[2-oxidanyl-2,2-dipyridin-3-yl-1-(1,2,3-triazol-2-yl)ethyl]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanyl-2,2-dipyridin-3-yl-1-(1,2,3-triazol-2-yl)ethyl]benzenecarbonitrile Openeye Name: 3-[2-hydroxy-2,2-bis(3-pyridyl)-1-(triazol-2-yl)ethyl]benzonitrile CAS Name: 3-[2-hydroxy-2,2-bis(3-pyridinyl)-1-(2-triazolyl)ethyl]benzonitrile IUPAC Name: 3-[2-hydroxy-2,2-dipyridin-3-yl-1-(triazol-2-yl)ethyl]benzonitrile Traditional Name: 3-[2-hydroxy-2,2-bis(3-pyridyl)-1-(triazol-2-yl)ethyl]benzonitrile Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(C(C2=CN=CC=C2)(C3=CN=CC=C3)O)N4N=CC=N4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(C(C2=CN=CC=C2)(C3=CN=CC=C3)O)N4N=CC=N4)C#N

InChI

InChI=1S/C21H16N6O/c22-13-16-4-1-5-17(12-16)20(27-25-10-11-26-27)21(28,18-6-2-8-23-14-18)19-7-3-9-24-15-19/h1-12,14-15,20,28H