2-ethanimidoyl-4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 4-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-3-keto-butyronitrile Formula: C20H15FN4OS MolecularWeight: 378.422703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN4OS/c1-12(23)17(10-22)18(26)11-27-20-16-5-3-2-4-15(16)19(24-25-20)13-6-8-14(21)9-7-13/h2-9,17,23H,11H2,1H3