6-(azepan-1-yl)-1,4-dimethyl-2-oxidanylidene-5-[(Z)-(4-oxidanylidene-3-phenethyl-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-phenethyl-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-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile CAS Name: 6-(1-azepanyl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-3-pyridinecarbonitrile IUPAC Name: 6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile Traditional Name: 6-(azepan-1-yl)-2-keto-5-[(Z)-(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-nicotinonitrile Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)N4CCCCCC4)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1/C=C\2/C(=O)N(C(=S)S2)CCC3=CC=CC=C3)N4CCCCCC4)C)C#N

InChI

InChI=1S/C26H28N4O2S2/c1-18-20(23(28(2)24(31)21(18)17-27)29-13-8-3-4-9-14-29)16-22-25(32)30(26(33)34-22)15-12-19-10-6-5-7-11-19/h5-7,10-11,16H,3-4,8-9,12-15H2,1-2H3/b22-16-