5-methyl-4-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 5-methyl-4-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[[2-(p-tolylsulfanyl)ethylamino]methylene]pyrazol-3-one CAS Name: 5-methyl-4-[[2-[(4-methylphenyl)thio]ethylamino]methylidene]-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 5-methyl-4-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[[2-(p-tolylthio)ethylamino]methylene]-2-pyrazolin-3-one Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O3S/c1-14-3-9-18(10-4-14)28-12-11-21-13-19-15(2)22-23(20(19)25)16-5-7-17(8-6-16)24(26)27/h3-10,13,21H,11-12H2,1-2H3