4-(2,5-dimethylphenyl)-2-[2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[2-hydroxy-3-(2-thienylmethoxy)propyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[2-hydroxy-3-(2-thenyloxy)propyl]phthalazin-1-one Formula: C24H24N2O3S MolecularWeight: 420.52396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(COCC4=CC=CS4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(COCC4=CC=CS4)O

InChI

InChI=1S/C24H24N2O3S/c1-16-9-10-17(2)22(12-16)23-20-7-3-4-8-21(20)24(28)26(25-23)13-18(27)14-29-15-19-6-5-11-30-19/h3-12,18,27H,13-15H2,1-2H3