4-[2-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]benzenecarbonitrile

Systemtic Name: 4-[2-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]benzenecarbonitrile Openeye Name: 4-[2-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]benzonitrile CAS Name: 4-[2-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]benzonitrile IUPAC Name: 4-[2-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]benzonitrile Traditional Name: 4-[2-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butoxy]benzonitrile Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C16H20N4O2/c1-16(2,3)14(21-4)15(20-11-18-10-19-20)22-13-7-5-12(9-17)6-8-13/h5-8,10-11,14-15H,1-4H3