3-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one Formula: C17H13FN4O2S MolecularWeight: 356.374123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NNC(=NC2=O)SCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)CC2=NNC(=NC2=O)SCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN4O2S/c18-13-5-3-12(4-6-13)15(23)10-25-17-20-16(24)14(21-22-17)8-11-2-1-7-19-9-11/h1-7,9H,8,10H2,(H,20,22,24)