2-[2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]-2-keto-ethyl]thio]-6-methyl-nicotinonitrile Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC(=C(C=C3C#N)C(=O)C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC(=C(C=C3C#N)C(=O)C)C)OC)OC

InChI

InChI=1S/C25H30N4O4S/c1-16-10-22(32-4)23(33-5)12-20(16)14-28-6-8-29(9-7-28)24(31)15-34-25-19(13-26)11-21(18(3)30)17(2)27-25/h10-12H,6-9,14-15H2,1-5H3