4-(3-chloranyl-4-fluoranyl-phenyl)-5-[(1-oxidanylidenephthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-5-[(1-oxidanylidenephthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-4-fluorophenyl)-5-[(1-oxo-2-phthalazinyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-4-fluorophenyl)-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-5-[(1-ketophthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate Formula: C17H10ClFN5OS- MolecularWeight: 386.810603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NN=C(N3C4=CC(=C(C=C4)F)Cl)[S-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NN=C(N3C4=CC(=C(C=C4)F)Cl)[S-]

InChI

InChI=1S/C17H11ClFN5OS/c18-13-7-11(5-6-14(13)19)24-15(21-22-17(24)26)9-23-16(25)12-4-2-1-3-10(12)8-20-23/h1-8H,9H2,(H,22,26)/p-1