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

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O2S/c1-30-23-16-20(12-13-22(23)31-18-19-8-4-2-5-9-19)17-25-14-15-32-24-26-27-28-29(24)21-10-6-3-7-11-21/h2-13,16,25H,14-15,17-18H2,1H3