4-[[3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[3-[(4-bromo-2-fluoro-phenyl)methoxy]benzothiophene-2-carbonyl]benzonitrile CAS Name: 4-[[3-[(4-bromo-2-fluorophenyl)methoxy]-1-benzothiophen-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-[(4-bromo-2-fluorophenyl)methoxy]-1-benzothiophene-2-carbonyl]benzonitrile Traditional Name: 4-[3-(4-bromo-2-fluoro-benzyl)oxybenzothiophene-2-carbonyl]benzonitrile Formula: C23H13BrFNO2S MolecularWeight: 466.322223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)C3=CC=C(C=C3)C#N)OCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)C3=CC=C(C=C3)C#N)OCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C23H13BrFNO2S/c24-17-10-9-16(19(25)11-17)13-28-22-18-3-1-2-4-20(18)29-23(22)21(27)15-7-5-14(12-26)6-8-15/h1-11H,13H2