2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)aniline

Systemtic Name: 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)aniline Openeye Name: 2-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)aniline CAS Name: 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-5-(trifluoromethyl)aniline IUPAC Name: 2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)aniline Traditional Name: [2-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylthio]-5-(trifluoromethyl)phenyl]amine Formula: C13H14F3N3OS MolecularWeight: 317.32997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)CSC2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CC(C)C1=NOC(=N1)CSC2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C13H14F3N3OS/c1-7(2)12-18-11(20-19-12)6-21-10-4-3-8(5-9(10)17)13(14,15)16/h3-5,7H,6,17H2,1-2H3