(2-phenyl-1,3-thiazol-4-yl)methyl 2-[5-(2-ethylphenyl)-1H-pyrazol-4-yl]ethaneperoxoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[5-(2-ethylphenyl)-1H-pyrazol-4-yl]ethaneperoxoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-[5-(2-ethylphenyl)-1H-pyrazol-4-yl]peroxyacetate CAS Name: 2-[5-(2-ethylphenyl)-1H-pyrazol-4-yl]ethaneperoxoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[5-(2-ethylphenyl)-1H-pyrazol-4-yl]ethaneperoxoate Traditional Name: 2-[5-(2-ethylphenyl)-1H-pyrazol-4-yl]peracetic acid (2-phenylthiazol-4-yl)methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(C=NN2)CC(=O)OOCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1C2=C(C=NN2)CC(=O)OOCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c1-2-16-8-6-7-11-20(16)22-18(13-24-26-22)12-21(27)29-28-14-19-15-30-23(25-19)17-9-4-3-5-10-17/h3-11,13,15H,2,12,14H2,1H3,(H,24,26)