2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine

Systemtic Name: 2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Openeye Name: 2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine CAS Name: 2-[[4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanamine IUPAC Name: 2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Traditional Name: 2-[[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethylamine Formula: C15H16F3N3S MolecularWeight: 327.36785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCN)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCN)C(F)(F)F

InChI

InChI=1S/C15H16F3N3S/c1-2-10-3-5-11(6-4-10)12-9-13(15(16,17)18)21-14(20-12)22-8-7-19/h3-6,9H,2,7-8,19H2,1H3