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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C17H18BrN5OS MolecularWeight: 420.32672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNCCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNCCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H18BrN5OS/c1-24-16-8-7-14(18)11-13(16)12-19-9-10-25-17-20-21-22-23(17)15-5-3-2-4-6-15/h2-8,11,19H,9-10,12H2,1H3