3-[(3-bromophenyl)methylsulfanyl]-4-cyclohexyl-6-[(4-fluorophenyl)amino]-1,2,4-triazin-5-one

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-cyclohexyl-6-[(4-fluorophenyl)amino]-1,2,4-triazin-5-one Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-cyclohexyl-6-(4-fluoroanilino)-1,2,4-triazin-5-one CAS Name: 3-[(3-bromophenyl)methylthio]-4-cyclohexyl-6-(4-fluoroanilino)-1,2,4-triazin-5-one IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-cyclohexyl-6-(4-fluoroanilino)-1,2,4-triazin-5-one Traditional Name: 3-[(3-bromobenzyl)thio]-4-cyclohexyl-6-(4-fluoroanilino)-1,2,4-triazin-5-one Formula: C22H22BrFN4OS MolecularWeight: 489.403683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=NN=C2SCC3=CC(=CC=C3)Br)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=NN=C2SCC3=CC(=CC=C3)Br)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22BrFN4OS/c23-16-6-4-5-15(13-16)14-30-22-27-26-20(25-18-11-9-17(24)10-12-18)21(29)28(22)19-7-2-1-3-8-19/h4-6,9-13,19H,1-3,7-8,14H2,(H,25,26)