S-phenyl 1-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carbothioate

Systemtic Name: S-phenyl 1-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carbothioate Openeye Name: S-phenyl 1-(3-chloro-4-fluoro-phenyl)-3-methyl-5-(5-methylisoxazol-3-yl)pyrazole-4-carbothioate CAS Name: 1-(3-chloro-4-fluorophenyl)-3-methyl-5-(5-methyl-3-isoxazolyl)-4-pyrazolecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 1-(3-chloro-4-fluorophenyl)-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carbothioate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-methyl-5-(5-methylisoxazol-3-yl)pyrazole-4-carbothioic acid S-phenyl ester Formula: C21H15ClFN3O2S MolecularWeight: 427.879103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2=C(C(=NN2C3=CC(=C(C=C3)F)Cl)C)C(=O)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)C2=C(C(=NN2C3=CC(=C(C=C3)F)Cl)C)C(=O)SC4=CC=CC=C4

InChI

InChI=1S/C21H15ClFN3O2S/c1-12-10-18(25-28-12)20-19(21(27)29-15-6-4-3-5-7-15)13(2)24-26(20)14-8-9-17(23)16(22)11-14/h3-11H,1-2H3