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

Systemtic Name: N-hexyl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-hexyl-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-hexyl-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-hexyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-hexyl-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS/c1-2-3-4-10-15-23-20(26)16-27-22-19-14-9-8-13-18(19)21(24-25-22)17-11-6-5-7-12-17/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,23,26)