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

Systemtic Name: 2-azanyl-6-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(2-chloro-6-fluorophenyl)methylthio]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2-chloro-6-fluoro-benzyl)thio]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C18H11ClFN4S2+ MolecularWeight: 401.888143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10ClFN4S2/c19-13-3-1-4-14(20)12(13)9-26-18-11(8-22)16(15-5-2-6-25-15)10(7-21)17(23)24-18/h1-6H,9H2,(H2,23,24)/p+1