methyl 3-[4-iodanyl-1-(triphenylmethyl)pyrazol-3-yl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 3-[4-iodanyl-1-(triphenylmethyl)pyrazol-3-yl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 3-(4-iodo-1-trityl-pyrazol-3-yl)-6-thioxo-cyclohexa-1,3-diene-1-carboxylate CAS Name: 3-[4-iodo-1-(triphenylmethyl)-3-pyrazolyl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-iodo-1-tritylpyrazol-3-yl)-6-sulfanylidenecyclohexa-1,3-diene-1-carboxylate Traditional Name: 3-(4-iodo-1-trityl-pyrazol-3-yl)-6-thioxo-cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C30H23IN2O2S MolecularWeight: 602.48529

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CCC1=S)C2=NN(C=C2I)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=CCC1=S)C2=NN(C=C2I)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H23IN2O2S/c1-35-29(34)25-19-21(17-18-27(25)36)28-26(31)20-33(32-28)30(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-17,19-20H,18H2,1H3