[2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenyl] 4-(2-methylphenyl)butaneperoxoate

Systemtic Name: [2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenyl] 4-(2-methylphenyl)butaneperoxoate Openeye Name: [2-(1H-pyrazol-5-yl)-5-(3-thienylmethoxy)phenyl] 4-(o-tolyl)butaneperoxoate CAS Name: 4-(2-methylphenyl)butaneperoxoic acid [2-(1H-pyrazol-5-yl)-5-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [2-(1H-pyrazol-5-yl)-5-(thiophen-3-ylmethoxy)phenyl] 4-(2-methylphenyl)butaneperoxoate Traditional Name: 4-(o-tolyl)peroxybutyric acid [2-(1H-pyrazol-5-yl)-5-(3-thenyloxy)phenyl] ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CSC=C3)C4=CC=NN4

Isomeric SMILES

CC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CSC=C3)C4=CC=NN4

InChI

InChI=1S/C25H24N2O4S/c1-18-5-2-3-6-20(18)7-4-8-25(28)31-30-24-15-21(29-16-19-12-14-32-17-19)9-10-22(24)23-11-13-26-27-23/h2-3,5-6,9-15,17H,4,7-8,16H2,1H3,(H,26,27)