S-(phenylmethyl) 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate

Systemtic Name: S-(phenylmethyl) 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate Openeye Name: S-benzyl 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]isoxazole-3-carbothioate CAS Name: 5-methyl-4-[oxo-[4-(trifluoromethyl)anilino]methyl]-3-isoxazolecarbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate Traditional Name: 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]isoxazole-3-carbothioic acid S-benzyl ester Formula: C20H15F3N2O3S MolecularWeight: 420.40491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)SCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NO1)C(=O)SCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O3S/c1-12-16(18(26)24-15-9-7-14(8-10-15)20(21,22)23)17(25-28-12)19(27)29-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,24,26)