5-pentylsulfanyl-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine

Systemtic Name: 5-pentylsulfanyl-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Openeye Name: 5-pentylsulfanyl-3-(2-pyridyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine CAS Name: 5-(pentylthio)-3-(2-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine IUPAC Name: 5-pentylsulfanyl-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Traditional Name: 5-(amylthio)-3-(2-pyridyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Formula: C20H19F3N4S MolecularWeight: 404.45187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(N=NC(=N1)C2=CC=CC=N2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCSC1=C(N=NC(=N1)C2=CC=CC=N2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N4S/c1-2-3-6-13-28-19-17(14-8-10-15(11-9-14)20(21,22)23)26-27-18(25-19)16-7-4-5-12-24-16/h4-5,7-12H,2-3,6,13H2,1H3