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

Systemtic Name: 6-(azepan-1-yl)-1,4-dimethyl-2-oxidanylidene-5-[(Z)-(4-oxidanylidene-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Openeye Name: 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile CAS Name: 6-(1-azepanyl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-3-pyridinecarbonitrile IUPAC Name: 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Traditional Name: 6-(azepan-1-yl)-2-keto-5-[(Z)-(4-keto-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-nicotinonitrile Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCCCCC3)SC1=S

Isomeric SMILES

CCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCCCCC3)/SC1=S

InChI

InChI=1S/C21H26N4O2S2/c1-4-9-25-20(27)17(29-21(25)28)12-15-14(2)16(13-22)19(26)23(3)18(15)24-10-7-5-6-8-11-24/h12H,4-11H2,1-3H3/b17-12-