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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C21H26BrN5O2S MolecularWeight: 492.43244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCCCSC2=NN=NN2C)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCCCSC2=NN=NN2C)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26BrN5O2S/c1-3-28-19-13-17(14-23-10-7-11-30-21-24-25-26-27(21)2)12-18(22)20(19)29-15-16-8-5-4-6-9-16/h4-6,8-9,12-13,23H,3,7,10-11,14-15H2,1-2H3