2-azanyl-4-thiophen-2-yl-6-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-thiophen-2-yl-6-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(2-thienyl)-6-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-thiophen-2-yl-6-[[2-(trifluoromethyl)phenyl]methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-thiophen-2-yl-6-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(2-thienyl)-6-[[2-(trifluoromethyl)benzyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C19H12F3N4S2+ MolecularWeight: 417.45059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N)C(F)(F)F

InChI

InChI=1S/C19H11F3N4S2/c20-19(21,22)14-5-2-1-4-11(14)10-28-18-13(9-24)16(15-6-3-7-27-15)12(8-23)17(25)26-18/h1-7H,10H2,(H2,25,26)/p+1