3-[(3-fluorophenyl)methylsulfanyl]-6-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-6-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one Openeye Name: 3-[(3-fluorophenyl)methylsulfanyl]-6-(3-oxo-3-pyrrolidin-1-yl-propyl)-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one CAS Name: 3-[(3-fluorophenyl)methylthio]-6-[3-oxo-3-(1-pyrrolidinyl)propyl]-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one Traditional Name: 3-[(3-fluorobenzyl)thio]-6-(3-keto-3-pyrrolidino-propyl)-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one Formula: C23H25FN4O2S MolecularWeight: 440.533603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2=NNC(N(C2=O)C3=CC=CC=C3)SCC4=CC(=CC=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)CCC2=NNC(N(C2=O)C3=CC=CC=C3)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C23H25FN4O2S/c24-18-8-6-7-17(15-18)16-31-23-26-25-20(11-12-21(29)27-13-4-5-14-27)22(30)28(23)19-9-2-1-3-10-19/h1-3,6-10,15,23,26H,4-5,11-14,16H2