2-[[2,6-bis(bromanyl)-4-piperidin-1-ylcarbothioyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2,6-bis(bromanyl)-4-piperidin-1-ylcarbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2,6-dibromo-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2,6-dibromo-4-[1-piperidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2,6-dibromo-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2,6-dibromo-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C20H18Br2N2OS MolecularWeight: 494.24272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Br2N2OS/c21-17-10-16(20(26)24-8-4-1-5-9-24)11-18(22)19(17)25-13-15-7-3-2-6-14(15)12-23/h2-3,6-7,10-11H,1,4-5,8-9,13H2