1,2-diphenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium

Systemtic Name: 1,2-diphenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Openeye Name: 1,2-diphenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium CAS Name: 1,2-diphenyl-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium IUPAC Name: 1,2-diphenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Traditional Name: 1,2-diphenyl-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium Formula: C27H20N3S+ MolecularWeight: 418.5328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20N3S/c1-4-12-20(13-5-1)25-26(21-14-6-2-7-15-21)29-24-19-11-10-18-23(24)28-30(29)27(25)31-22-16-8-3-9-17-22/h1-19,28H/q+1