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

Systemtic Name: (4Z)-5-methyl-4-[1-[2-(4-methylphenyl)sulfanylethylamino]ethylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-5-methyl-2-phenyl-4-[1-[2-(p-tolylsulfanyl)ethylamino]ethylidene]pyrazol-3-one CAS Name: (4Z)-5-methyl-4-[1-[2-[(4-methylphenyl)thio]ethylamino]ethylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-5-methyl-4-[1-[2-(4-methylphenyl)sulfanylethylamino]ethylidene]-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-methyl-2-phenyl-4-[1-[2-(p-tolylthio)ethylamino]ethylidene]-2-pyrazolin-3-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=C2C(=NN(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCN/C(=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)/C

InChI

InChI=1S/C21H23N3OS/c1-15-9-11-19(12-10-15)26-14-13-22-16(2)20-17(3)23-24(21(20)25)18-7-5-4-6-8-18/h4-12,22H,13-14H2,1-3H3/b20-16-