(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H19ClN4O3S/c1-14-18(21(23)27(25-14)16-8-4-3-5-9-16)12-29-22(28)17-10-6-7-11-19(17)31-13-20-24-15(2)26-30-20/h3-11H,12-13H2,1-2H3