methyl 5-[4-iodanyl-1-(triphenylmethyl)pyrazol-3-yl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[4-iodanyl-1-(triphenylmethyl)pyrazol-3-yl]thiophene-2-carboxylate Openeye Name: methyl 5-(4-iodo-1-trityl-pyrazol-3-yl)thiophene-2-carboxylate CAS Name: 5-[4-iodo-1-(triphenylmethyl)-3-pyrazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-iodo-1-tritylpyrazol-3-yl)thiophene-2-carboxylate Traditional Name: 5-(4-iodo-1-trityl-pyrazol-3-yl)thiophene-2-carboxylic acid methyl ester Formula: C28H21IN2O2S MolecularWeight: 576.44801

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C2=NN(C=C2I)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(S1)C2=NN(C=C2I)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21IN2O2S/c1-33-27(32)25-18-17-24(34-25)26-23(29)19-31(30-26)28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19H,1H3