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

Systemtic Name: 5-phenethylsulfanyl-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Openeye Name: 5-phenethylsulfanyl-3-(2-pyridyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine CAS Name: 5-(phenethylthio)-3-(2-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine IUPAC Name: 5-phenethylsulfanyl-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Traditional Name: 5-(phenethylthio)-3-(2-pyridyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Formula: C23H17F3N4S MolecularWeight: 438.46809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H17F3N4S/c24-23(25,26)18-11-9-17(10-12-18)20-22(31-15-13-16-6-2-1-3-7-16)28-21(30-29-20)19-8-4-5-14-27-19/h1-12,14H,13,15H2