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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)-1,2,3,4-tetrazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(m-tolyl)tetrazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)tetrazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-methylphenyl)tetrazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(m-tolyl)tetrazole Formula: C16H13BrN4O2 MolecularWeight: 373.20402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(N=N2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C16H13BrN4O2/c1-10-3-2-4-11(5-10)16-18-20-21(19-16)8-12-6-14-15(7-13(12)17)23-9-22-14/h2-7H,8-9H2,1H3