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

Systemtic Name: 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Openeye Name: 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium CAS Name: 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium IUPAC Name: 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Traditional Name: 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium Formula: C29H23FN3S+ MolecularWeight: 464.576423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(N3NC4=CC=CC=C4[N+]3=C2C5=CC=C(C=C5)F)SC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(N3NC4=CC=CC=C4[N+]3=C2C5=CC=C(C=C5)F)SC6=CC=CC=C6

InChI

InChI=1S/C29H23FN3S/c1-19-12-13-20(2)24(18-19)27-28(21-14-16-22(30)17-15-21)32-26-11-7-6-10-25(26)31-33(32)29(27)34-23-8-4-3-5-9-23/h3-18,31H,1-2H3/q+1