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

Systemtic Name: 1-(4-fluorophenyl)-2-methyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Openeye Name: 1-(4-fluorophenyl)-2-methyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium CAS Name: 1-(4-fluorophenyl)-2-methyl-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium IUPAC Name: 1-(4-fluorophenyl)-2-methyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Traditional Name: 1-(4-fluorophenyl)-2-methyl-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium Formula: C22H17FN3S+ MolecularWeight: 374.453883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2NC3=CC=CC=C3[N+]2=C1C4=CC=C(C=C4)F)SC5=CC=CC=C5

Isomeric SMILES

CC1=C(N2NC3=CC=CC=C3[N+]2=C1C4=CC=C(C=C4)F)SC5=CC=CC=C5

InChI

InChI=1S/C22H17FN3S/c1-15-21(16-11-13-17(23)14-12-16)25-20-10-6-5-9-19(20)24-26(25)22(15)27-18-7-3-2-4-8-18/h2-14,24H,1H3/q+1