3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(5-phenylisoxazol-3-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(5-phenyl-3-isoxazolyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(5-phenylisoxazol-3-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C13H10F3N5OS MolecularWeight: 341.31161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NN=C(N3N)C(F)(F)F

InChI

InChI=1S/C13H10F3N5OS/c14-13(15,16)11-18-19-12(21(11)17)23-7-9-6-10(22-20-9)8-4-2-1-3-5-8/h1-6H,7,17H2