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

Systemtic Name: 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C26H27N4O2S+ MolecularWeight: 459.58318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2S/c1-29-12-14-30(15-13-29)25(31)18-33-26-23(17-27)22(19-8-10-21(32-2)11-9-19)16-24(28-26)20-6-4-3-5-7-20/h3-11,16H,12-15,18H2,1-2H3/p+1