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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C25H26BrN5O2S MolecularWeight: 540.47524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26BrN5O2S/c1-2-32-23-16-20(15-22(26)24(23)33-18-19-9-5-3-6-10-19)17-27-13-14-34-25-28-29-30-31(25)21-11-7-4-8-12-21/h3-12,15-16,27H,2,13-14,17-18H2,1H3