4,6-dimethyl-2-sulfanylidene-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-sulfanylidene-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-thioxo-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-sulfanylidene-1-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-sulfanylidene-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-thioxo-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]nicotinonitrile Formula: C20H22F3N4S+ MolecularWeight: 407.47569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C#N)C

InChI

InChI=1S/C20H21F3N4S/c1-14-10-15(2)27(19(28)18(14)12-24)13-25-6-8-26(9-7-25)17-5-3-4-16(11-17)20(21,22)23/h3-5,10-11H,6-9,13H2,1-2H3/p+1