1-[1-(2-ethylphenyl)-5,5-dimethyl-4-prop-2-enoxy-hexan-3-yl]-1,2,4-triazole

Systemtic Name: 1-[1-(2-ethylphenyl)-5,5-dimethyl-4-prop-2-enoxy-hexan-3-yl]-1,2,4-triazole Openeye Name: 1-[2-allyloxy-1-[2-(2-ethylphenyl)ethyl]-3,3-dimethyl-butyl]-1,2,4-triazole CAS Name: 1-[1-(2-ethylphenyl)-5,5-dimethyl-4-prop-2-enoxyhexan-3-yl]-1,2,4-triazole IUPAC Name: 1-[1-(2-ethylphenyl)-5,5-dimethyl-4-prop-2-enoxyhexan-3-yl]-1,2,4-triazole Traditional Name: 1-[2-allyloxy-1-[2-(2-ethylphenyl)ethyl]-3,3-dimethyl-butyl]-1,2,4-triazole Formula: C21H31N3O MolecularWeight: 341.49034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CCC(C(C(C)(C)C)OCC=C)N2C=NC=N2

Isomeric SMILES

CCC1=CC=CC=C1CCC(C(C(C)(C)C)OCC=C)N2C=NC=N2

InChI

InChI=1S/C21H31N3O/c1-6-14-25-20(21(3,4)5)19(24-16-22-15-23-24)13-12-18-11-9-8-10-17(18)7-2/h6,8-11,15-16,19-20H,1,7,12-14H2,2-5H3