4,6-bis(azanyl)-1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 4,6-bis(azanyl)-1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 4,6-diamino-1-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 4,6-diamino-1-[4-(difluoromethylthio)phenyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile IUPAC Name: 4,6-diamino-1-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 4,6-diamino-1-[4-(difluoromethylthio)phenyl]-2-keto-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C15H12F2N5OS+ MolecularWeight: 348.350486

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C([NH+]=C(C(=C2N)C#N)N)N(C1=O)C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1C2=C([NH+]=C(C(=C2N)C#N)N)N(C1=O)C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C15H11F2N5OS/c16-15(17)24-8-3-1-7(2-4-8)22-11(23)5-9-12(19)10(6-18)13(20)21-14(9)22/h1-4,15H,5H2,(H4,19,20,21)/p+1