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

Systemtic Name: 1-[2-[5-bromanyl-6-(2H-1,2,3,4-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzothiophen-3-yl]-2-phenyl-ethanone Openeye Name: 1-[2-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)-2-naphthyl]benzothiophen-3-yl]-2-phenyl-ethanone CAS Name: 1-[2-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)-2-naphthalenyl]-1-benzothiophen-3-yl]-2-phenylethanone IUPAC Name: 1-[2-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzothiophen-3-yl]-2-phenylethanone Traditional Name: 1-[2-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)-2-naphthyl]benzothiophen-3-yl]-2-phenyl-ethanone Formula: C28H19BrN4O2S MolecularWeight: 555.44506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C2=C(SC3=CC=CC=C32)C4=CC5=C(C=C4)C(=C(C=C5)OCC6=NNN=N6)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C2=C(SC3=CC=CC=C32)C4=CC5=C(C=C4)C(=C(C=C5)OCC6=NNN=N6)Br

InChI

InChI=1S/C28H19BrN4O2S/c29-27-20-12-10-19(15-18(20)11-13-23(27)35-16-25-30-32-33-31-25)28-26(21-8-4-5-9-24(21)36-28)22(34)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,30,31,32,33)