methyl 2-[[4-(4-chlorophenyl)-2,5-diphenyl-pyrazol-3-yl]methylsulfanyl]benzoate

Systemtic Name: methyl 2-[[4-(4-chlorophenyl)-2,5-diphenyl-pyrazol-3-yl]methylsulfanyl]benzoate Openeye Name: methyl 2-[[4-(4-chlorophenyl)-2,5-diphenyl-pyrazol-3-yl]methylsulfanyl]benzoate CAS Name: 2-[[4-(4-chlorophenyl)-2,5-diphenyl-3-pyrazolyl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenyl)-2,5-diphenylpyrazol-3-yl]methylsulfanyl]benzoate Traditional Name: 2-[[4-(4-chlorophenyl)-2,5-diphenyl-pyrazol-3-yl]methylthio]benzoic acid methyl ester Formula: C30H23ClN2O2S MolecularWeight: 511.03382

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H23ClN2O2S/c1-35-30(34)25-14-8-9-15-27(25)36-20-26-28(21-16-18-23(31)19-17-21)29(22-10-4-2-5-11-22)32-33(26)24-12-6-3-7-13-24/h2-19H,20H2,1H3