6-(azepan-1-yl)-1,4-dimethyl-2-oxidanylidene-5-[(Z)-(4-oxidanylidene-3-prop-2-enyl-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-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Openeye Name: 5-[(Z)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(azepan-1-yl)-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 6-(1-azepanyl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-3-pyridinecarbonitrile IUPAC Name: 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Traditional Name: 5-[(Z)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(azepan-1-yl)-2-keto-1,4-dimethyl-nicotinonitrile Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/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/h4,12H,1,5-11H2,2-3H3/b17-12-