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

Systemtic Name: 6-(azepan-1-yl)-5-[(Z)-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 6-(azepan-1-yl)-5-[(Z)-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 6-(1-azepanyl)-5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile IUPAC Name: 6-(azepan-1-yl)-5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile Traditional Name: 6-(azepan-1-yl)-5-[(Z)-(3-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-nicotinonitrile Formula: C22H28N4O2S2 MolecularWeight: 444.61332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCCCCC3)SC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCCCCC3)/SC1=S

InChI

InChI=1S/C22H28N4O2S2/c1-4-5-12-26-21(28)18(30-22(26)29)13-16-15(2)17(14-23)20(27)24(3)19(16)25-10-8-6-7-9-11-25/h13H,4-12H2,1-3H3/b18-13-