methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methylsulfanyl]benzoate Openeye Name: methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(2,4,5-triphenyl-3-pyrazolyl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2,4,5-triphenylpyrazol-3-yl)methylthio]benzoic acid methyl ester Formula: C30H24N2O2S MolecularWeight: 476.58876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H24N2O2S/c1-34-30(33)25-19-11-12-20-27(25)35-21-26-28(22-13-5-2-6-14-22)29(23-15-7-3-8-16-23)31-32(26)24-17-9-4-10-18-24/h2-20H,21H2,1H3