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

Systemtic Name: 1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-morpholin-4-yl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-[(3-isopentyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-morpholino-2-oxo-pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-6-(4-morpholinyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile Traditional Name: 5-[(3-isoamyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-6-morpholino-nicotinonitrile Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC(C)C)N3CCOCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC(C)C)N3CCOCC3)C)C#N

InChI

InChI=1S/C21H26N4O3S2/c1-13(2)5-6-25-20(27)17(30-21(25)29)11-15-14(3)16(12-22)19(26)23(4)18(15)24-7-9-28-10-8-24/h11,13H,5-10H2,1-4H3