2-[(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[4-bromo-2-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-bromo-2-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-bromo-2-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C19H17BrN2OS MolecularWeight: 401.32008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H17BrN2OS/c20-16-7-8-18(17(11-16)19(24)22-9-3-4-10-22)23-13-15-6-2-1-5-14(15)12-21/h1-2,5-8,11H,3-4,9-10,13H2