7-chloranyl-1-oxidanidyl-2-phenyl-[1,2,3]triazolo[4,5-d]pyrimidin-1-ium

Systemtic Name: 7-chloranyl-1-oxidanidyl-2-phenyl-[1,2,3]triazolo[4,5-d]pyrimidin-1-ium Openeye Name: 7-chloro-1-oxido-2-phenyl-triazolo[4,5-d]pyrimidin-1-ium CAS Name: 7-chloro-1-oxido-2-phenyltriazolo[4,5-d]pyrimidin-1-ium IUPAC Name: 7-chloro-1-oxido-2-phenyltriazolo[4,5-d]pyrimidin-1-ium Traditional Name: 7-chloro-1-oxido-2-phenyl-triazolo[4,5-d]pyrimidin-1-ium Formula: C10H6ClN5O MolecularWeight: 247.64054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C(=[N+]2[O-])C(=NC=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C(=[N+]2[O-])C(=NC=N3)Cl

InChI

InChI=1S/C10H6ClN5O/c11-9-8-10(13-6-12-9)14-15(16(8)17)7-4-2-1-3-5-7/h1-6H