2-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)sulfanyl-6-(2-thienyl)-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[(2,5-dioxo-1-phenyl-3-pyrrolidinyl)thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[(2,5-diketo-1-phenyl-pyrrolidin-3-yl)thio]-6-(2-thienyl)-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Formula: C21H13F3N3O2S2+ MolecularWeight: 460.47203

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=C(C(=CC(=[NH+]3)C4=CC=CS4)C(F)(F)F)C#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=C(C(=CC(=[NH+]3)C4=CC=CS4)C(F)(F)F)C#N

InChI

InChI=1S/C21H12F3N3O2S2/c22-21(23,24)14-9-15(16-7-4-8-30-16)26-19(13(14)11-25)31-17-10-18(28)27(20(17)29)12-5-2-1-3-6-12/h1-9,17H,10H2/p+1