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

Systemtic Name: N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(2-benzyloxy-5-bromo-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (2-benzoxy-5-bromo-benzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C19H22BrN5OS MolecularWeight: 448.37988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCNCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=N1)SCCCNCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C19H22BrN5OS/c1-25-19(22-23-24-25)27-11-5-10-21-13-16-12-17(20)8-9-18(16)26-14-15-6-3-2-4-7-15/h2-4,6-9,12,21H,5,10-11,13-14H2,1H3