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

SMILES: C1=CC(=C(C=C1C2=C(NN=C2)C(F)(F)F)SC3=C(C=CC(=C3)C4=C(NN=C4)C(F)(F)F)C#N)C#N

Molecular Processing

Molecular formula

C22H10F6N6S

Molecular weight

504.42

Exact mass

504.0592

XLogP

6.4

TPSA

104.94

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.091

Molar refractivity

111.6

Supplementary Information

InChIKey: UGRZEOPYCYAEFO-UHFFFAOYSA-N

Synonyms

1,1'-thiodi-[2-cyano-5-(3-trifluoromethylpyrazolyl)benzene]SCHEMBL34804951,1'- thiodi-[2-cyano-5-(3-trifluoromethylpyrazolyl)benzene]