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

Systemtic Name: 2-[[2,6-bis(bromanyl)-4-pyrrolidin-1-ylcarbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2,6-dibromo-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2,6-dibromo-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2,6-dibromo-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2,6-dibromo-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C19H16Br2N2OS MolecularWeight: 480.21614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Br2N2OS/c20-16-9-15(19(25)23-7-3-4-8-23)10-17(21)18(16)24-12-14-6-2-1-5-13(14)11-22/h1-2,5-6,9-10H,3-4,7-8,12H2