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

Systemtic Name: (4Z)-2-(4-methoxyphenyl)-4-[1-[(2-phenylsulfanylphenyl)amino]ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-methoxyphenyl)-4-[1-(2-phenylsulfanylanilino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(4-methoxyphenyl)-4-[1-[2-(phenylthio)anilino]ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-methoxyphenyl)-4-[1-(2-phenylsulfanylanilino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(4-methoxyphenyl)-4-[1-[2-(phenylthio)anilino]ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S/c1-4-10-24-26(27(31)30(29-24)20-15-17-21(32-3)18-16-20)19(2)28-23-13-8-9-14-25(23)33-22-11-6-5-7-12-22/h5-9,11-18,28H,4,10H2,1-3H3/b26-19-