N-heptan-2-yl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-heptan-2-yl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(1-methylhexyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-heptan-2-yl-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-heptan-2-yl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(1-methylhexyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3OS/c1-3-4-6-11-17(2)24-21(27)16-28-23-20-15-10-9-14-19(20)22(25-26-23)18-12-7-5-8-13-18/h5,7-10,12-15,17H,3-4,6,11,16H2,1-2H3,(H,24,27)