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

Systemtic Name: 5-[(Z)-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-[(Z)-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,4-dimethyl-6-(4-methyl-1-piperazinyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-[(Z)-(3-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-6-(4-methylpiperazino)nicotinonitrile Formula: C21H27N5O2S2 MolecularWeight: 445.60138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S2/c1-5-6-7-26-20(28)17(30-21(26)29)12-15-14(2)16(13-22)19(27)24(4)18(15)25-10-8-23(3)9-11-25/h12H,5-11H2,1-4H3/b17-12-