2-azanyl-6-[(2-chloranylquinolin-3-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(2-chloranylquinolin-3-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(2-chloro-3-quinolyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(2-chloro-3-quinolinyl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2-chloro-3-quinolyl)methylthio]pyridin-1-ium-3,5-dicarbonitrile Formula: C17H11ClN5S+ MolecularWeight: 352.82074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C17H10ClN5S/c18-15-13(5-10-3-1-2-4-14(10)22-15)9-24-17-12(8-20)6-11(7-19)16(21)23-17/h1-6H,9H2,(H2,21,23)/p+1