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

Systemtic Name: 1-(4-fluorophenyl)-2-methyl-3-propylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Openeye Name: 1-(4-fluorophenyl)-2-methyl-3-propylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium CAS Name: 1-(4-fluorophenyl)-2-methyl-3-(propylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium IUPAC Name: 1-(4-fluorophenyl)-2-methyl-3-propylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Traditional Name: 1-(4-fluorophenyl)-2-methyl-3-(propylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium Formula: C19H19FN3S+ MolecularWeight: 340.437663

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=[N+]2N1NC3=CC=CC=C32)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCCSC1=C(C(=[N+]2N1NC3=CC=CC=C32)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C19H19FN3S/c1-3-12-24-19-13(2)18(14-8-10-15(20)11-9-14)22-17-7-5-4-6-16(17)21-23(19)22/h4-11,21H,3,12H2,1-2H3/q+1