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

Systemtic Name: N-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C19H22BrN5O2S MolecularWeight: 464.37928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNCCSC2=NN=NN2C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNCCSC2=NN=NN2C3=CC=CC=C3)OC

InChI

InChI=1S/C19H22BrN5O2S/c1-3-27-18-16(20)11-14(12-17(18)26-2)13-21-9-10-28-19-22-23-24-25(19)15-7-5-4-6-8-15/h4-8,11-12,21H,3,9-10,13H2,1-2H3