N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine

Systemtic Name: N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(2-benzyloxy-5-bromo-phenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (2-benzoxy-5-bromo-benzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C23H22BrN5OS MolecularWeight: 496.42268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNCCSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNCCSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H22BrN5OS/c24-20-11-12-22(30-17-18-7-3-1-4-8-18)19(15-20)16-25-13-14-31-23-26-27-28-29(23)21-9-5-2-6-10-21/h1-12,15,25H,13-14,16-17H2