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

Systemtic Name: 5-[(Z)-(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxidanylidene-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 5-[(Z)-(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,4-dimethyl-2-oxo-6-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile IUPAC Name: 5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile Traditional Name: 5-[(Z)-(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-6-(4-phenylpiperazino)nicotinonitrile Formula: C28H33N5O2S2 MolecularWeight: 535.72392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C28H33N5O2S2/c1-4-5-6-10-13-33-27(35)24(37-28(33)36)18-22-20(2)23(19-29)26(34)30(3)25(22)32-16-14-31(15-17-32)21-11-8-7-9-12-21/h7-9,11-12,18H,4-6,10,13-17H2,1-3H3/b24-18-