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

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C14H20BrN5O2S MolecularWeight: 402.3099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCNCC2=CC(=C(C(=C2)Br)OC)OC

Isomeric SMILES

CN1C(=NN=N1)SCCCNCC2=CC(=C(C(=C2)Br)OC)OC

InChI

InChI=1S/C14H20BrN5O2S/c1-20-14(17-18-19-20)23-6-4-5-16-9-10-7-11(15)13(22-3)12(8-10)21-2/h7-8,16H,4-6,9H2,1-3H3