Nombre: 2-mercapto-4-(3-trifluoromethylpyrazolyl)benzonitrile

IUPAC: 2-sulfanyl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]benzonitrile

SMILES: N#Cc1ccc(-c2c[nH]nc2C(F)(F)F)cc1S

Canonical SMILES: C1=CC(=C(C=C1C2=C(NN=C2)C(F)(F)F)S)C#N

Fórmula molecular: C11H6F3N3S

Masa molecular: 269.25

InChIKey: WQBPFRGJIXHQBB-UHFFFAOYSA-N

InChI: InChI=1S/C11H6F3N3S/c12-11(13,14)10-8(5-16-17-10)6-1-2-7(4-15)9(18)3-6/h1-3,5,18H,(H,16,17)

Sinónimos

2-mercapto-4-(3-trifluoromethylpyrazolyl)benzonitrileSCHEMBL3480538