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

Systemtic Name: 5-[(Z)-(3-butan-2-yl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-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]-6-(4-ethyl-1-piperazinyl)-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile Traditional Name: 6-(4-ethylpiperazino)-2-keto-5-[(Z)-(4-keto-3-sec-butyl-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-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)C)N3CCN(CC3)CC)SC1=S

Isomeric SMILES

CCC(C)N1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC)/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)24(5)19(16)26-10-8-25(7-2)9-11-26/h12,14H,6-11H2,1-5H3/b18-12-