N-[(2S)-5-methylhexan-2-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3OS/c1-16(2)13-14-17(3)24-21(27)15-28-23-20-12-8-7-11-19(20)22(25-26-23)18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)/t17-/m0/s1