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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-6-propyl-pyridine-3-carbonitrile Openeye Name: 2-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-6-propyl-pyridine-3-carbonitrile CAS Name: 2-[[2,5-dioxo-1-(4-phenoxyphenyl)-3-pyrrolidinyl]thio]-6-propyl-3-pyridinecarbonitrile IUPAC Name: 2-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-6-propylpyridine-3-carbonitrile Traditional Name: 2-[[2,5-diketo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]thio]-6-propyl-nicotinonitrile Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S/c1-2-6-18-10-9-17(16-26)24(27-18)32-22-15-23(29)28(25(22)30)19-11-13-21(14-12-19)31-20-7-4-3-5-8-20/h3-5,7-14,22H,2,6,15H2,1H3