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

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-6-(2-thienyl)nicotinonitrile Formula: C17H19N4OS2+ MolecularWeight: 359.48896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS2/c1-20-6-8-21(9-7-20)16(22)12-24-17-13(11-18)4-5-14(19-17)15-3-2-10-23-15/h2-5,10H,6-9,12H2,1H3/p+1