2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C25H25N4OS+ MolecularWeight: 429.5572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H24N4OS/c1-28-12-14-29(15-13-28)24(30)18-31-25-22(17-26)21(19-8-4-2-5-9-19)16-23(27-25)20-10-6-3-7-11-20/h2-11,16H,12-15,18H2,1H3/p+1