(4E)-4-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O4S/c1-13-16(19(24)21(20-13)15-5-3-2-4-6-15)11-14-7-8-18(27-10-9-23)17(12-14)22(25)26/h2-8,11-12,23H,9-10H2,1H3/b16-11+