4-[3-(6-phenylpyridin-3-yl)-1,2,4-triazol-4-yl]-3-propan-2-yl-1H-2,1,3-benzoxadiazole

Systemtic Name: 4-[3-(6-phenylpyridin-3-yl)-1,2,4-triazol-4-yl]-3-propan-2-yl-1H-2,1,3-benzoxadiazole Openeye Name: 3-isopropyl-4-[3-(6-phenyl-3-pyridyl)-1,2,4-triazol-4-yl]-1H-2,1,3-benzoxadiazole CAS Name: 4-[3-(6-phenyl-3-pyridinyl)-1,2,4-triazol-4-yl]-3-propan-2-yl-1H-2,1,3-benzoxadiazole IUPAC Name: 4-[3-(6-phenylpyridin-3-yl)-1,2,4-triazol-4-yl]-3-propan-2-yl-1H-2,1,3-benzoxadiazole Traditional Name: 3-isopropyl-4-[3-(6-phenyl-3-pyridyl)-1,2,4-triazol-4-yl]-1H-benzofurazan Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=CC=C2NO1)N3C=NN=C3C4=CN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)N1C2=C(C=CC=C2NO1)N3C=NN=C3C4=CN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N6O/c1-15(2)28-21-19(26-29-28)9-6-10-20(21)27-14-24-25-22(27)17-11-12-18(23-13-17)16-7-4-3-5-8-16/h3-15,26H,1-2H3