5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-1-phenyl-tetrazole CAS Name: 5-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-1-phenyltetrazole IUPAC Name: 5-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-1-phenyltetrazole Traditional Name: 5-[(4-bromo-2,5-dimethoxy-benzyl)thio]-1-phenyl-tetrazole Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=NN2C3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=NN2C3=CC=CC=C3)OC)Br

InChI

InChI=1S/C16H15BrN4O2S/c1-22-14-9-13(17)15(23-2)8-11(14)10-24-16-18-19-20-21(16)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3