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

Systemtic Name: 1-(4-methoxyphenyl)-2-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Openeye Name: 1-(4-methoxyphenyl)-2-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium CAS Name: 1-(4-methoxyphenyl)-2-phenyl-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium IUPAC Name: 1-(4-methoxyphenyl)-2-phenyl-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Traditional Name: 1-(4-methoxyphenyl)-2-phenyl-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium Formula: C28H22N3OS+ MolecularWeight: 448.55878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+]3C4=CC=CC=C4NN3C(=C2C5=CC=CC=C5)SC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+]3C4=CC=CC=C4NN3C(=C2C5=CC=CC=C5)SC6=CC=CC=C6

InChI

InChI=1S/C28H22N3OS/c1-32-22-18-16-21(17-19-22)27-26(20-10-4-2-5-11-20)28(33-23-12-6-3-7-13-23)31-29-24-14-8-9-15-25(24)30(27)31/h2-19,29H,1H3/q+1