1-[3-(2-chloranyl-6-fluoranyl-phenyl)-2-oxidanylidene-propyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[3-(2-chloranyl-6-fluoranyl-phenyl)-2-oxidanylidene-propyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[3-(2-chloro-6-fluoro-phenyl)-2-oxo-propyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[3-(2-chloro-6-fluorophenyl)-2-oxopropyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[3-(2-chloro-6-fluorophenyl)-2-oxopropyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[3-(2-chloro-6-fluoro-phenyl)-2-keto-propyl]-1,2,4-triazole-3-carbonitrile Formula: C12H8ClFN4O MolecularWeight: 278.669523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC(=O)CN2C=NC(=N2)C#N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC(=O)CN2C=NC(=N2)C#N)F

InChI

InChI=1S/C12H8ClFN4O/c13-10-2-1-3-11(14)9(10)4-8(19)6-18-7-16-12(5-15)17-18/h1-3,7H,4,6H2