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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN4O2S/c1-14(2)11-19(31)23-18-5-3-4-6-21(18)33-25(23)16-7-9-17-15(12-16)8-10-20(24(17)26)32-13-22-27-29-30-28-22/h3-10,12,14H,11,13H2,1-2H3,(H,27,28,29,30)