2-[2,5-bis(oxidanylidene)-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Openeye Name: 2-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-6-isobutyl-pyridine-3-carbonitrile CAS Name: 2-[[2,5-dioxo-1-(4-phenoxyphenyl)-3-pyrrolidinyl]thio]-6-(2-methylpropyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile Traditional Name: 2-[[2,5-diketo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]thio]-6-isobutyl-nicotinonitrile Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S/c1-17(2)14-19-9-8-18(16-27)25(28-19)33-23-15-24(30)29(26(23)31)20-10-12-22(13-11-20)32-21-6-4-3-5-7-21/h3-13,17,23H,14-15H2,1-2H3