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

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine hydrochloride Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine hydrochloride CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine hydrochloride IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-[2-[(1-methyltetrazol-5-yl)thio]ethyl]amine hydrochloride Formula: C13H19BrClN5O2S MolecularWeight: 424.74426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OC)OC.Cl

Isomeric SMILES

CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Br)OC)OC.Cl

InChI

InChI=1S/C13H18BrN5O2S.ClH/c1-19-13(16-17-18-19)22-5-4-15-8-9-6-10(14)12(21-3)11(7-9)20-2;/h6-7,15H,4-5,8H2,1-3H3;1H