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

Systemtic Name: N-[(3-methoxy-4-phenethyloxy-phenyl)methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(3-methoxy-4-phenethyloxy-phenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(3-methoxy-4-phenethyloxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(3-methoxy-4-phenethyloxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine Traditional Name: (3-methoxy-4-phenethyloxy-benzyl)-[2-[(1-methyltetrazol-5-yl)thio]ethyl]amine Formula: C20H25N5O2S MolecularWeight: 399.5098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCNCC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC

Isomeric SMILES

CN1C(=NN=N1)SCCNCC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H25N5O2S/c1-25-20(22-23-24-25)28-13-11-21-15-17-8-9-18(19(14-17)26-2)27-12-10-16-6-4-3-5-7-16/h3-9,14,21H,10-13,15H2,1-2H3