(4Z)-4-[(10-butylphenothiazin-3-yl)methylidene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[(10-butylphenothiazin-3-yl)methylidene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4Z)-4-[(10-butylphenothiazin-3-yl)methylene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one CAS Name: (4Z)-4-[(10-butyl-3-phenothiazinyl)methylidene]-2-(3-chlorophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4Z)-4-[(10-butylphenothiazin-3-yl)methylidene]-2-(3-chlorophenyl)-5-methylpyrazol-3-one Traditional Name: (4Z)-4-[(10-butylphenothiazin-3-yl)methylene]-2-(3-chlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C27H24ClN3OS MolecularWeight: 474.01696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C=C3C(=NN(C3=O)C4=CC(=CC=C4)Cl)C)SC5=CC=CC=C51

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)/C=C\3/C(=NN(C3=O)C4=CC(=CC=C4)Cl)C)SC5=CC=CC=C51

InChI

InChI=1S/C27H24ClN3OS/c1-3-4-14-30-23-10-5-6-11-25(23)33-26-16-19(12-13-24(26)30)15-22-18(2)29-31(27(22)32)21-9-7-8-20(28)17-21/h5-13,15-17H,3-4,14H2,1-2H3/b22-15-