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

Systemtic Name: 1-(4-methoxyphenyl)-2-(4-methylphenyl)-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Openeye Name: 1-(4-methoxyphenyl)-3-phenylsulfanyl-2-(p-tolyl)-5H-pyrazolo[1,2-a]benzotriazol-10-ium CAS Name: 1-(4-methoxyphenyl)-2-(4-methylphenyl)-3-(phenylthio)-5H-pyrazolo[1,2-a]benzotriazol-10-ium IUPAC Name: 1-(4-methoxyphenyl)-2-(4-methylphenyl)-3-phenylsulfanyl-5H-pyrazolo[1,2-a]benzotriazol-10-ium Traditional Name: 1-(4-methoxyphenyl)-3-(phenylthio)-2-(p-tolyl)-5H-pyrazolo[1,2-a]benzotriazol-10-ium Formula: C29H24N3OS+ MolecularWeight: 462.58536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N3OS/c1-20-12-14-21(15-13-20)27-28(22-16-18-23(33-2)19-17-22)31-26-11-7-6-10-25(26)30-32(31)29(27)34-24-8-4-3-5-9-24/h3-19,30H,1-2H3/q+1