(4Z)-4-[1-[2-(4-methylphenyl)sulfanylethylamino]ethylidene]-2-phenyl-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[1-[2-(4-methylphenyl)sulfanylethylamino]ethylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-phenyl-5-propyl-4-[1-[2-(p-tolylsulfanyl)ethylamino]ethylidene]pyrazol-3-one CAS Name: (4Z)-4-[1-[2-[(4-methylphenyl)thio]ethylamino]ethylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-[2-(4-methylphenyl)sulfanylethylamino]ethylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4Z)-2-phenyl-5-propyl-4-[1-[2-(p-tolylthio)ethylamino]ethylidene]-2-pyrazolin-3-one Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCSC2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCCSC2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3OS/c1-4-8-21-22(23(27)26(25-21)19-9-6-5-7-10-19)18(3)24-15-16-28-20-13-11-17(2)12-14-20/h5-7,9-14,24H,4,8,15-16H2,1-3H3/b22-18-