2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylthio]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthio]-4-(trifluoromethyl)pyrimidine Formula: C21H15F3N4S MolecularWeight: 412.43081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC=CC(=N3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC=CC(=N3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H15F3N4S/c22-21(23,24)18-11-12-25-20(26-18)29-14-16-13-28(17-9-5-2-6-10-17)27-19(16)15-7-3-1-4-8-15/h1-13H,14H2