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

Systemtic Name: 1-(4-butylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-(4-butylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-(4-butylphenyl)-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-(4-butylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-(4-butylphenyl)-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2OS/c1-2-3-9-19-14-16-20(17-15-19)24(29)18-30-26-23-13-8-7-12-22(23)25(27-28-26)21-10-5-4-6-11-21/h4-8,10-17H,2-3,9,18H2,1H3