2-[7,7-dimethyl-6-oxidanyl-5-(1,2,4-triazol-1-yl)octoxy]benzenecarbonitrile

Systemtic Name: 2-[7,7-dimethyl-6-oxidanyl-5-(1,2,4-triazol-1-yl)octoxy]benzenecarbonitrile Openeye Name: 2-[6-hydroxy-7,7-dimethyl-5-(1,2,4-triazol-1-yl)octoxy]benzonitrile CAS Name: 2-[6-hydroxy-7,7-dimethyl-5-(1,2,4-triazol-1-yl)octoxy]benzonitrile IUPAC Name: 2-[6-hydroxy-7,7-dimethyl-5-(1,2,4-triazol-1-yl)octoxy]benzonitrile Traditional Name: 2-[6-hydroxy-7,7-dimethyl-5-(1,2,4-triazol-1-yl)octoxy]benzonitrile Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(CCCCOC1=CC=CC=C1C#N)N2C=NC=N2)O

Isomeric SMILES

CC(C)(C)C(C(CCCCOC1=CC=CC=C1C#N)N2C=NC=N2)O

InChI

InChI=1S/C19H26N4O2/c1-19(2,3)18(24)16(23-14-21-13-22-23)9-6-7-11-25-17-10-5-4-8-15(17)12-20/h4-5,8,10,13-14,16,18,24H,6-7,9,11H2,1-3H3