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

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[2-[(1-methyltetrazol-5-yl)thio]ethyl]amine Formula: C19H22BrN5O2S MolecularWeight: 464.37928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C19H22BrN5O2S/c1-25-19(22-23-24-25)28-9-8-21-12-15-10-16(20)18(17(11-15)26-2)27-13-14-6-4-3-5-7-14/h3-7,10-11,21H,8-9,12-13H2,1-2H3