(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-1-phthalazinyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-phenylphthalazin-1-yl)thio]propionamide Formula: C24H19N3O3S MolecularWeight: 429.49096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H19N3O3S/c1-15(23(28)25-17-11-12-20-21(13-17)30-14-29-20)31-24-19-10-6-5-9-18(19)22(26-27-24)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,25,28)/t15-/m1/s1