2-ethanimidoyl-4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C14H12FN5OS MolecularWeight: 317.341383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2F

InChI

InChI=1S/C14H12FN5OS/c1-8(17)10(6-16)12(21)7-22-14-18-13(19-20-14)9-4-2-3-5-11(9)15/h2-5,10,17H,7H2,1H3,(H,18,19,20)