2-tert-butyl-1-phenyl-3-phenylsulfanyl-pyrazolo[1,2-a]benzotriazol-10-ium-5-ide

Systemtic Name: 2-tert-butyl-1-phenyl-3-phenylsulfanyl-pyrazolo[1,2-a]benzotriazol-10-ium-5-ide Openeye Name: 2-tert-butyl-1-phenyl-3-phenylsulfanyl-pyrazolo[1,2-a]benzotriazol-10-ium-5-ide CAS Name: 2-tert-butyl-1-phenyl-3-(phenylthio)pyrazolo[1,2-a]benzotriazol-10-ium-5-ide IUPAC Name: 2-tert-butyl-1-phenyl-3-phenylsulfanylpyrazolo[1,2-a]benzotriazol-10-ium-5-ide Traditional Name: 2-tert-butyl-1-phenyl-3-(phenylthio)pyrazolo[1,2-a]benzotriazol-10-ium-5-ide Formula: C25H23N3S MolecularWeight: 397.53522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N2[N-]C3=CC=CC=C3[N+]2=C1C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=C(N2[N-]C3=CC=CC=C3[N+]2=C1C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C25H23N3S/c1-25(2,3)22-23(18-12-6-4-7-13-18)27-21-17-11-10-16-20(21)26-28(27)24(22)29-19-14-8-5-9-15-19/h4-17H,1-3H3