2-[[2,6-bis(chloranyl)-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2,6-bis(chloranyl)-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2,6-dichloro-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2,6-dichloro-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2,6-dichloro-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2,6-dichloro-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C21H20Cl2N2OS MolecularWeight: 419.3673

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3C#N)Cl

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C21H20Cl2N2OS/c1-14-6-8-25(9-7-14)21(27)17-10-18(22)20(19(23)11-17)26-13-16-5-3-2-4-15(16)12-24/h2-5,10-11,14H,6-9,13H2,1H3