2-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)ethanenitrile

Systemtic Name: 2-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)ethanenitrile Openeye Name: 2-[3,5-bis(3-pyridyl)-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[3,5-bis(3-pyridinyl)-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)acetonitrile Traditional Name: 2-[3,5-bis(3-pyridyl)-1,2,4-triazol-1-yl]acetonitrile Formula: C14H10N6 MolecularWeight: 262.2694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN(C(=N2)C3=CN=CC=C3)CC#N

Isomeric SMILES

C1=CC(=CN=C1)C2=NN(C(=N2)C3=CN=CC=C3)CC#N

InChI

InChI=1S/C14H10N6/c15-5-8-20-14(12-4-2-7-17-10-12)18-13(19-20)11-3-1-6-16-9-11/h1-4,6-7,9-10H,8H2