4-pyridin-3-yl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine

Systemtic Name: 4-pyridin-3-yl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Openeye Name: 4-(3-pyridyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine CAS Name: 4-(3-pyridinyl)-2-[[4-(trifluoromethyl)phenyl]methylthio]pyrimidine IUPAC Name: 4-pyridin-3-yl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine Traditional Name: 4-(3-pyridyl)-2-[[4-(trifluoromethyl)benzyl]thio]pyrimidine Formula: C17H12F3N3S MolecularWeight: 347.35749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NC=C2)SCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NC=C2)SCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3S/c18-17(19,20)14-5-3-12(4-6-14)11-24-16-22-9-7-15(23-16)13-2-1-8-21-10-13/h1-10H,11H2