6-(4-ethylpiperazin-4-ium-1-yl)-1,4-dimethyl-2-oxidanylidene-5-[(Z)-(4-oxidanylidene-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-1,4-dimethyl-2-oxidanylidene-5-[(Z)-(4-oxidanylidene-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Traditional Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-keto-5-[(Z)-(4-keto-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-nicotinonitrile Formula: C21H28N5O2S2+ MolecularWeight: 446.60932

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CC[NH+](CC3)CC)SC1=S

Isomeric SMILES

CCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CC[NH+](CC3)CC)/SC1=S

InChI

InChI=1S/C21H27N5O2S2/c1-5-7-26-20(28)17(30-21(26)29)12-15-14(3)16(13-22)19(27)23(4)18(15)25-10-8-24(6-2)9-11-25/h12H,5-11H2,1-4H3/p+1/b17-12-