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

Systemtic Name: N-[(5-bromanyl-2-ethoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(5-bromo-2-ethoxy-phenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(5-bromo-2-ethoxyphenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(5-bromo-2-ethoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (5-bromo-2-ethoxy-benzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C18H20BrN5OS MolecularWeight: 434.3533

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)CNCCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)CNCCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H20BrN5OS/c1-2-25-17-9-8-15(19)12-14(17)13-20-10-11-26-18-21-22-23-24(18)16-6-4-3-5-7-16/h3-9,12,20H,2,10-11,13H2,1H3