1-[2-[5-bromanyl-6-(2H-1,2,3,4-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzothiophen-3-yl]pentan-1-one

Systemtic Name: 1-[2-[5-bromanyl-6-(2H-1,2,3,4-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzothiophen-3-yl]pentan-1-one Openeye Name: 1-[2-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)-2-naphthyl]benzothiophen-3-yl]pentan-1-one CAS Name: 1-[2-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)-2-naphthalenyl]-1-benzothiophen-3-yl]-1-pentanone IUPAC Name: 1-[2-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzothiophen-3-yl]pentan-1-one Traditional Name: 1-[2-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)-2-naphthyl]benzothiophen-3-yl]pentan-1-one Formula: C25H21BrN4O2S MolecularWeight: 521.42884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(SC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC5=NNN=N5)Br

Isomeric SMILES

CCCCC(=O)C1=C(SC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC5=NNN=N5)Br

InChI

InChI=1S/C25H21BrN4O2S/c1-2-3-7-19(31)23-18-6-4-5-8-21(18)33-25(23)16-9-11-17-15(13-16)10-12-20(24(17)26)32-14-22-27-29-30-28-22/h4-6,8-13H,2-3,7,14H2,1H3,(H,27,28,29,30)