2-ethanimidoyl-3-oxidanylidene-4-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(3-benzyl-4-oxo-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[5-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]-1,3,4-oxadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(3-benzyl-4-oxophthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[5-(3-benzyl-4-keto-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]thio]-3-keto-butyronitrile Formula: C23H18N6O3S MolecularWeight: 458.49242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H18N6O3S/c1-14(25)18(11-24)19(30)13-33-23-27-26-21(32-23)20-16-9-5-6-10-17(16)22(31)29(28-20)12-15-7-3-2-4-8-15/h2-10,18,25H,12-13H2,1H3