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

Systemtic Name: 1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxidanylidene-5-[(Z)-(4-oxidanylidene-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Openeye Name: 1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(Z)-(4-oxo-3-pentyl-2-thioxo-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-6-(4-methyl-1-piperazinyl)-2-oxo-5-[(Z)-(4-oxo-3-pentyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-3-pyridinecarbonitrile IUPAC Name: 1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-[(Z)-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Traditional Name: 5-[(Z)-(3-amyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-6-(4-methylpiperazino)nicotinonitrile Formula: C22H29N5O2S2 MolecularWeight: 459.62796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)C)SC1=S

Isomeric SMILES

CCCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)C)/SC1=S

InChI

InChI=1S/C22H29N5O2S2/c1-5-6-7-8-27-21(29)18(31-22(27)30)13-16-15(2)17(14-23)20(28)25(4)19(16)26-11-9-24(3)10-12-26/h13H,5-12H2,1-4H3/b18-13-