5-[(Z)-(3-butyl-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-butyl-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: 5-[(Z)-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-6-(4-ethyl-1-piperazinyl)-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile Traditional Name: 5-[(Z)-(3-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(4-ethylpiperazino)-2-keto-1,4-dimethyl-nicotinonitrile Formula: C22H29N5O2S2 MolecularWeight: 459.62796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC)SC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC)/SC1=S

InChI

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