3-[[4-(4-fluorophenyl)carbonylphenyl]methylsulfanyl]-6-methyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[[4-(4-fluorophenyl)carbonylphenyl]methylsulfanyl]-6-methyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[[4-(4-fluorobenzoyl)phenyl]methylsulfanyl]-6-methyl-2H-1,2,4-triazin-5-one CAS Name: 3-[[4-[(4-fluorophenyl)-oxomethyl]phenyl]methylthio]-6-methyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[[4-(4-fluorobenzoyl)phenyl]methylsulfanyl]-6-methyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[[4-(4-fluorobenzoyl)benzyl]thio]-6-methyl-2H-1,2,4-triazin-5-one Formula: C18H14FN3O2S MolecularWeight: 355.386063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NNC(=NC1=O)SCC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H14FN3O2S/c1-11-17(24)20-18(22-21-11)25-10-12-2-4-13(5-3-12)16(23)14-6-8-15(19)9-7-14/h2-9H,10H2,1H3,(H,20,22,24)