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

Systemtic Name: 5-(phenylmethylsulfanyl)-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Openeye Name: 5-benzylsulfanyl-3-(2-pyridyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine CAS Name: 5-(phenylmethylthio)-3-(2-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine IUPAC Name: 5-benzylsulfanyl-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Traditional Name: 5-(benzylthio)-3-(2-pyridyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Formula: C22H15F3N4S MolecularWeight: 424.44151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H15F3N4S/c23-22(24,25)17-11-9-16(10-12-17)19-21(30-14-15-6-2-1-3-7-15)27-20(29-28-19)18-8-4-5-13-26-18/h1-13H,14H2