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

Systemtic Name: 2-[(4-bromanyl-2-piperidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[4-bromo-2-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-bromo-2-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-bromo-2-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C20H19BrN2OS MolecularWeight: 415.34666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H19BrN2OS/c21-17-8-9-19(24-14-16-7-3-2-6-15(16)13-22)18(12-17)20(25)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,14H2