1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]-1,2,4-triazole

Systemtic Name: 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]-1,2,4-triazole Openeye Name: 1-[4-[4-(1-methyl-1-phenyl-ethyl)phenoxy]butyl]-1,2,4-triazole CAS Name: 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]-1,2,4-triazole IUPAC Name: 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]-1,2,4-triazole Traditional Name: 1-[4-(4-cumylphenoxy)butyl]-1,2,4-triazole Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCCN3C=NC=N3

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCCN3C=NC=N3

InChI

InChI=1S/C21H25N3O/c1-21(2,18-8-4-3-5-9-18)19-10-12-20(13-11-19)25-15-7-6-14-24-17-22-16-23-24/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3