4-[[3-[(3-bromophenyl)methoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[(3-bromophenyl)methoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[3-[(3-bromophenyl)methoxy]benzothiophene-2-carbonyl]benzonitrile CAS Name: 4-[[3-[(3-bromophenyl)methoxy]-1-benzothiophen-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-[(3-bromophenyl)methoxy]-1-benzothiophene-2-carbonyl]benzonitrile Traditional Name: 4-[3-(3-bromobenzyl)oxybenzothiophene-2-carbonyl]benzonitrile Formula: C23H14BrNO2S MolecularWeight: 448.33176

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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=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H14BrNO2S/c24-18-5-3-4-16(12-18)14-27-22-19-6-1-2-7-20(19)28-23(22)21(26)17-10-8-15(13-25)9-11-17/h1-12H,14H2