5-[(Z)-(3-butan-2-yl-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-butan-2-yl-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: 1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-sec-butyl-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 5-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,4-dimethyl-2-oxo-6-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile IUPAC Name: 5-[(Z)-(3-butan-2-yl-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: 2-keto-5-[(Z)-(4-keto-3-sec-butyl-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-(4-phenylpiperazino)nicotinonitrile Formula: C26H29N5O2S2 MolecularWeight: 507.67076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCC(C)N1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C26H29N5O2S2/c1-5-17(2)31-25(33)22(35-26(31)34)15-20-18(3)21(16-27)24(32)28(4)23(20)30-13-11-29(12-14-30)19-9-7-6-8-10-19/h6-10,15,17H,5,11-14H2,1-4H3/b22-15-