2-azanyl-6-[(4-nitrophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(4-nitrophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(4-nitrophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(4-nitrophenyl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(4-nitrophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(4-nitrobenzyl)thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C14H10N5O2S+ MolecularWeight: 312.3265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O2S/c15-6-10-5-11(7-16)14(18-13(10)17)22-8-9-1-3-12(4-2-9)19(20)21/h1-5H,8H2,(H2,17,18)/p+1