2-ethanimidoyl-3-oxidanylidene-4-(4-phenylphthalazin-1-yl)sulfanyl-butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-(4-phenylphthalazin-1-yl)sulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-(4-phenylphthalazin-1-yl)sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(4-phenyl-1-phthalazinyl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-(4-phenylphthalazin-1-yl)sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(4-phenylphthalazin-1-yl)thio]butyronitrile Formula: C20H16N4OS MolecularWeight: 360.43224

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4OS/c1-13(22)17(11-21)18(25)12-26-20-16-10-6-5-9-15(16)19(23-24-20)14-7-3-2-4-8-14/h2-10,17,22H,12H2,1H3