4-[2-oxidanyl-2,2-dipyridin-3-yl-1-(1,2,3-triazol-1-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanyl-2,2-dipyridin-3-yl-1-(1,2,3-triazol-1-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-2,2-bis(3-pyridyl)-1-(triazol-1-yl)ethyl]benzonitrile CAS Name: 4-[2-hydroxy-2,2-bis(3-pyridinyl)-1-(1-triazolyl)ethyl]benzonitrile IUPAC Name: 4-[2-hydroxy-2,2-dipyridin-3-yl-1-(triazol-1-yl)ethyl]benzonitrile Traditional Name: 4-[2-hydroxy-2,2-bis(3-pyridyl)-1-(triazol-1-yl)ethyl]benzonitrile Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(C2=CN=CC=C2)(C(C3=CC=C(C=C3)C#N)N4C=CN=N4)O

Isomeric SMILES

C1=CC(=CN=C1)C(C2=CN=CC=C2)(C(C3=CC=C(C=C3)C#N)N4C=CN=N4)O

InChI

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