O-(3-phenylmethoxypropyl) 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carbothioate

Systemtic Name: O-(3-phenylmethoxypropyl) 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carbothioate Openeye Name: O-(3-benzyloxypropyl) 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carbothioate CAS Name: 5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolecarbothioic acid O-(3-phenylmethoxypropyl) ester IUPAC Name: O-(3-phenylmethoxypropyl) 5-(4-methylsulfonylphenyl)-1-phenylpyrazole-3-carbothioate Traditional Name: 5-(4-mesylphenyl)-1-phenyl-pyrazole-3-carbothioic acid O-(3-benzoxypropyl) ester Formula: C27H26N2O4S2 MolecularWeight: 506.63634

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=S)OCCCOCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=S)OCCCOCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4S2/c1-35(30,31)24-15-13-22(14-16-24)26-19-25(28-29(26)23-11-6-3-7-12-23)27(34)33-18-8-17-32-20-21-9-4-2-5-10-21/h2-7,9-16,19H,8,17-18,20H2,1H3