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

Systemtic Name: 2-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-pyrazolo[1,2-a]benzotriazol-10-ium-5-ide Openeye Name: 1-phenyl-3-phenylsulfanyl-2-(p-tolyl)pyrazolo[1,2-a]benzotriazol-10-ium-5-ide CAS Name: 2-(4-methylphenyl)-1-phenyl-3-(phenylthio)pyrazolo[1,2-a]benzotriazol-10-ium-5-ide IUPAC Name: 2-(4-methylphenyl)-1-phenyl-3-phenylsulfanylpyrazolo[1,2-a]benzotriazol-10-ium-5-ide Traditional Name: 1-phenyl-3-(phenylthio)-2-(p-tolyl)pyrazolo[1,2-a]benzotriazol-10-ium-5-ide Formula: C28H21N3S MolecularWeight: 431.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N3[N-]C4=CC=CC=C4[N+]3=C2C5=CC=CC=C5)SC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N3[N-]C4=CC=CC=C4[N+]3=C2C5=CC=CC=C5)SC6=CC=CC=C6

InChI

InChI=1S/C28H21N3S/c1-20-16-18-21(19-17-20)26-27(22-10-4-2-5-11-22)30-25-15-9-8-14-24(25)29-31(30)28(26)32-23-12-6-3-7-13-23/h2-19H,1H3