1-(4-fluorophenyl)-2-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium

Systemtic Name: 1-(4-fluorophenyl)-2-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Openeye Name: 1-(4-fluorophenyl)-2-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium CAS Name: 1-(4-fluorophenyl)-2-phenyl-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium IUPAC Name: 1-(4-fluorophenyl)-2-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Traditional Name: 1-(4-fluorophenyl)-2-phenyl-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium Formula: C27H19FN3S+ MolecularWeight: 436.523263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N3NC4=CC=CC=C4[N+]3=C2C5=CC=C(C=C5)F)SC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N3NC4=CC=CC=C4[N+]3=C2C5=CC=C(C=C5)F)SC6=CC=CC=C6

InChI

InChI=1S/C27H19FN3S/c28-21-17-15-20(16-18-21)26-25(19-9-3-1-4-10-19)27(32-22-11-5-2-6-12-22)31-29-23-13-7-8-14-24(23)30(26)31/h1-18,29H/q+1