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

Systemtic Name: 4,6-dimethyl-1-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-1-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4,6-dimethyl-2-thioxo-nicotinonitrile Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C20H24N4O2S2/c1-16-12-17(2)24(20(27)19(16)13-21)15-22-8-10-23(11-9-22)28(25,26)14-18-6-4-3-5-7-18/h3-7,12H,8-11,14-15H2,1-2H3/p+1