N-[[4-[2-(4-phenylphthalazin-1-yl)sulfanylethanoyl]phenyl]methyl]ethanamide

Systemtic Name: N-[[4-[2-(4-phenylphthalazin-1-yl)sulfanylethanoyl]phenyl]methyl]ethanamide Openeye Name: N-[[4-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]phenyl]methyl]acetamide CAS Name: N-[[4-[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]phenyl]methyl]acetamide Traditional Name: N-[4-[2-[(4-phenylphthalazin-1-yl)thio]acetyl]benzyl]acetamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2S/c1-17(29)26-15-18-11-13-19(14-12-18)23(30)16-31-25-22-10-6-5-9-21(22)24(27-28-25)20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,26,29)