2,5-dimethyl-7-naphthalen-2-ylsulfonyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium

Systemtic Name: 2,5-dimethyl-7-naphthalen-2-ylsulfonyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Openeye Name: 2,5-dimethyl-7-(2-naphthylsulfonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium CAS Name: 2,5-dimethyl-7-(2-naphthalenylsulfonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium IUPAC Name: 2,5-dimethyl-7-naphthalen-2-ylsulfonyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Traditional Name: 2,5-dimethyl-7-(2-naphthylsulfonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Formula: C17H15N4O2S+ MolecularWeight: 339.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)N=C(N2)C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)N=C(N2)C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C17H14N4O2S/c1-11-9-16(21-17(18-11)19-12(2)20-21)24(22,23)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3/p+1