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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)OCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-31-24-18-21(12-13-23(24)32-16-14-20-8-4-2-5-9-20)19-26-15-17-33-25-27-28-29-30(25)22-10-6-3-7-11-22/h2-13,18,26H,14-17,19H2,1H3