2-[2-[4-(2-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[4-(2-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(2-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(2-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(2-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(2-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C18H14FN5OS MolecularWeight: 367.400063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CC=CC=C4F

InChI

InChI=1S/C18H14FN5OS/c19-14-7-3-4-8-15(14)24-16(21-22-18(24)26)9-10-23-17(25)13-6-2-1-5-12(13)11-20-23/h1-8,11H,9-10H2,(H,22,26)