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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CC)N3CCN(CC3)C)SC1=S

Isomeric SMILES

CCC(C)N1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)CC)N3CCN(CC3)C)/SC1=S

InChI

InChI=1S/C22H29N5O2S2/c1-6-14(3)27-21(29)18(31-22(27)30)12-16-15(4)17(13-23)20(28)26(7-2)19(16)25-10-8-24(5)9-11-25/h12,14H,6-11H2,1-5H3/b18-12-