2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-isopropylphenyl)tetrazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-propan-2-ylphenyl)tetrazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-propan-2-ylphenyl)tetrazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-p-cumenyl-tetrazole Formula: C18H17BrN4O2 MolecularWeight: 401.25718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H17BrN4O2/c1-11(2)12-3-5-13(6-4-12)18-20-22-23(21-18)9-14-7-16-17(8-15(14)19)25-10-24-16/h3-8,11H,9-10H2,1-2H3