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

Systemtic Name: N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(4-benzyloxy-3-ethoxy-phenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-2-31-24-17-21(13-14-23(24)32-19-20-9-5-3-6-10-20)18-26-15-16-33-25-27-28-29-30(25)22-11-7-4-8-12-22/h3-14,17,26H,2,15-16,18-19H2,1H3