4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methyl]benzonitrile CAS Name: 4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]benzonitrile Traditional Name: 4-[[2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methyl]benzonitrile Formula: C28H26N2OS MolecularWeight: 438.58384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=CC=CC=C4S3)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=CC=CC=C4S3)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H26N2OS/c29-20-22-9-7-21(8-10-22)19-26-25-5-1-2-6-27(25)32-28(26)23-11-13-24(14-12-23)31-18-17-30-15-3-4-16-30/h1-2,5-14H,3-4,15-19H2