2-[2-(1-adamantyl)-4,5-diphenyl-3H-1,2,4-triazol-3-yl]ethanenitrile

Systemtic Name: 2-[2-(1-adamantyl)-4,5-diphenyl-3H-1,2,4-triazol-3-yl]ethanenitrile Openeye Name: 2-[2-(1-adamantyl)-4,5-diphenyl-3H-1,2,4-triazol-3-yl]acetonitrile CAS Name: 2-[2-(1-adamantyl)-4,5-diphenyl-3H-1,2,4-triazol-3-yl]acetonitrile IUPAC Name: 2-[2-(1-adamantyl)-4,5-diphenyl-3H-1,2,4-triazol-3-yl]acetonitrile Traditional Name: 2-[2-(1-adamantyl)-4,5-diphenyl-3H-1,2,4-triazol-3-yl]acetonitrile Formula: C26H28N4 MolecularWeight: 396.52732

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(N(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6)CC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(N(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6)CC#N

InChI

InChI=1S/C26H28N4/c27-12-11-24-29(23-9-5-2-6-10-23)25(22-7-3-1-4-8-22)28-30(24)26-16-19-13-20(17-26)15-21(14-19)18-26/h1-10,19-21,24H,11,13-18H2