2-azanyl-6-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C17H13N6O2S+ MolecularWeight: 365.38912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C17H12N6O2S/c18-6-10-5-11(7-19)17(22-16(10)20)26-9-15(25)23-8-14(24)21-12-3-1-2-4-13(12)23/h1-5H,8-9H2,(H2,20,22)(H,21,24)/p+1