(4-pyrazol-1-ylphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H19N3O3S/c1-16-13-18(24-28-16)15-29-21-6-3-2-5-20(21)22(26)27-14-17-7-9-19(10-8-17)25-12-4-11-23-25/h2-13H,14-15H2,1H3