1-(azocan-1-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone

Systemtic Name: 1-(azocan-1-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-(azocan-1-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-(1-azocanyl)-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-(azocan-1-yl)-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c27-21(26-15-9-2-1-3-10-16-26)17-28-23-20-14-8-7-13-19(20)22(24-25-23)18-11-5-4-6-12-18/h4-8,11-14H,1-3,9-10,15-17H2