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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C(C)C)N3CCCCCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1/C=C\2/C(=O)N(C(=S)S2)C(C)C)N3CCCCCC3)C)C#N

InChI

InChI=1S/C21H26N4O2S2/c1-13(2)25-20(27)17(29-21(25)28)11-15-14(3)16(12-22)19(26)23(4)18(15)24-9-7-5-6-8-10-24/h11,13H,5-10H2,1-4H3/b17-11-