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

Systemtic Name: 4-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C20H15F2N5OS MolecularWeight: 411.427806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15F2N5OS/c1-12(24)17(10-23)18(28)11-29-20-26-25-19(13-2-4-14(21)5-3-13)27(20)16-8-6-15(22)7-9-16/h2-9,17,24H,11H2,1H3