2-azanyl-6-(cyanomethylsulfanyl)-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(cyanomethylsulfanyl)-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(cyanomethylsulfanyl)-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(cyanomethylthio)-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(cyanomethylsulfanyl)-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(cyanomethylthio)-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H10N5OS+ MolecularWeight: 308.3378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC#N)N)C#N)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC#N)N)C#N)O

InChI

InChI=1S/C15H9N5OS/c16-5-6-22-15-12(8-18)13(11(7-17)14(19)20-15)9-1-3-10(21)4-2-9/h1-4,21H,6H2,(H2,19,20)/p+1