1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-nicotinonitrile Formula: C19H22FN4O2S2+ MolecularWeight: 421.531983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O2S2/c1-14-10-15(2)24(19(27)18(14)12-21)13-22-6-8-23(9-7-22)28(25,26)17-5-3-4-16(20)11-17/h3-5,10-11H,6-9,13H2,1-2H3/p+1