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

Systemtic Name: 1,4-dimethyl-2-oxidanylidene-5-[(Z)-(4-oxidanylidene-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-pentyl-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-pentyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-6-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile IUPAC Name: 1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile Traditional Name: 5-[(Z)-(3-amyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-6-(4-phenylpiperazino)nicotinonitrile Formula: C27H31N5O2S2 MolecularWeight: 521.69734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C27H31N5O2S2/c1-4-5-9-12-32-26(34)23(36-27(32)35)17-21-19(2)22(18-28)25(33)29(3)24(21)31-15-13-30(14-16-31)20-10-7-6-8-11-20/h6-8,10-11,17H,4-5,9,12-16H2,1-3H3/b23-17-