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

Systemtic Name: 5-cyclohexylsulfanyl-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Openeye Name: 5-cyclohexylsulfanyl-3-(2-pyridyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine CAS Name: 5-(cyclohexylthio)-3-(2-pyridinyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine IUPAC Name: 5-cyclohexylsulfanyl-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Traditional Name: 5-(cyclohexylthio)-3-(2-pyridyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Formula: C21H19F3N4S MolecularWeight: 416.46257

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)SC2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4S/c22-21(23,24)15-11-9-14(10-12-15)18-20(29-16-6-2-1-3-7-16)26-19(28-27-18)17-8-4-5-13-25-17/h4-5,8-13,16H,1-3,6-7H2