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

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dithiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-4,6-bis(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-4,6-dithiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-4,6-bis(2-thienyl)nicotinonitrile Formula: C21H21N4OS3+ MolecularWeight: 441.61264

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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=CS4)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N

InChI

InChI=1S/C21H20N4OS3/c1-24-6-8-25(9-7-24)20(26)14-29-21-16(13-22)15(18-4-2-10-27-18)12-17(23-21)19-5-3-11-28-19/h2-5,10-12H,6-9,14H2,1H3/p+1