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

Systemtic Name: (4Z)-4-[(4-chlorophenyl)-thiomorpholin-4-yl-methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(4-chlorophenyl)-thiomorpholino-methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[(4-chlorophenyl)-thiomorpholin-4-ylmethylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(4-chlorophenyl)-thiomorpholin-4-ylmethylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-[(4-chlorophenyl)-thiomorpholino-methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C2=CC=C(C=C2)Cl)N3CCSCC3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(/C2=CC=C(C=C2)Cl)\N3CCSCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3OS/c1-15-19(21(26)25(23-15)18-5-3-2-4-6-18)20(24-11-13-27-14-12-24)16-7-9-17(22)10-8-16/h2-10H,11-14H2,1H3/b20-19-