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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(4-ethylphenyl)-1,2,3,4-tetrazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-ethylphenyl)tetrazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-ethylphenyl)tetrazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-ethylphenyl)tetrazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(4-ethylphenyl)tetrazole Formula: C17H15BrN4O2 MolecularWeight: 387.2306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H15BrN4O2/c1-2-11-3-5-12(6-4-11)17-19-21-22(20-17)9-13-7-15-16(8-14(13)18)24-10-23-15/h3-8H,2,9-10H2,1H3