2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C

InChI

InChI=1S/C24H25N3OS/c1-16-12-17(2)26-24(22(16)14-25)29-15-23(28)21-13-18(3)27(19(21)4)11-10-20-8-6-5-7-9-20/h5-9,12-13H,10-11,15H2,1-4H3