2-[4-[2-oxidanyl-3-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-oxidanyl-3-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-[1-oxo-4-(2-thienyl)phthalazin-2-yl]propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-[1-keto-4-(2-thienyl)phthalazin-2-yl]propoxy]phenyl]acetonitrile Formula: C23H19N3O3S MolecularWeight: 417.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COC3=CC=C(C=C3)CC#N)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COC3=CC=C(C=C3)CC#N)O)C4=CC=CS4

InChI

InChI=1S/C23H19N3O3S/c24-12-11-16-7-9-18(10-8-16)29-15-17(27)14-26-23(28)20-5-2-1-4-19(20)22(25-26)21-6-3-13-30-21/h1-10,13,17,27H,11,14-15H2