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

Systemtic Name: 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 4-(4-fluorophenyl)-2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 4-(4-fluorophenyl)-2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-6-(2-thienyl)nicotinonitrile Formula: C23H22FN4OS2+ MolecularWeight: 453.575383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C23H21FN4OS2/c1-27-8-10-28(11-9-27)22(29)15-31-23-19(14-25)18(16-4-6-17(24)7-5-16)13-20(26-23)21-3-2-12-30-21/h2-7,12-13H,8-11,15H2,1H3/p+1