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

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C24H24BrN5O2S MolecularWeight: 526.44866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24BrN5O2S/c1-31-22-15-19(14-21(25)23(22)32-17-18-8-4-2-5-9-18)16-26-12-13-33-24-27-28-29-30(24)20-10-6-3-7-11-20/h2-11,14-15,26H,12-13,16-17H2,1H3