3-[4-iodanyl-1-(triphenylmethyl)pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[4-iodanyl-1-(triphenylmethyl)pyrazol-3-yl]benzenecarbonitrile Openeye Name: 3-(4-iodo-1-trityl-pyrazol-3-yl)benzonitrile CAS Name: 3-[4-iodo-1-(triphenylmethyl)-3-pyrazolyl]benzonitrile IUPAC Name: 3-(4-iodo-1-tritylpyrazol-3-yl)benzonitrile Traditional Name: 3-(4-iodo-1-trityl-pyrazol-3-yl)benzonitrile Formula: C29H20IN3 MolecularWeight: 537.39367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C(=N4)C5=CC=CC(=C5)C#N)I

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C(=N4)C5=CC=CC(=C5)C#N)I

InChI

InChI=1S/C29H20IN3/c30-27-21-33(32-28(27)23-12-10-11-22(19-23)20-31)29(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-19,21H