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

Systemtic Name: (4Z)-2-phenyl-4-[1-[(2-phenylsulfanylphenyl)amino]ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-phenyl-4-[1-(2-phenylsulfanylanilino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-phenyl-4-[1-[2-(phenylthio)anilino]ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-phenyl-4-[1-(2-phenylsulfanylanilino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-phenyl-4-[1-[2-(phenylthio)anilino]ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2SC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NC2=CC=CC=C2SC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3OS/c1-3-12-23-25(26(30)29(28-23)20-13-6-4-7-14-20)19(2)27-22-17-10-11-18-24(22)31-21-15-8-5-9-16-21/h4-11,13-18,27H,3,12H2,1-2H3/b25-19-