(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylethylidene)-5-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylethylidene)-5-phenyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-morpholinoethylidene)-5-phenyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-morpholinyl)ethylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylethylidene)-5-phenylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-morpholinoethylidene)-5-phenyl-2-pyrazolin-3-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)/N5CCOCC5

InChI

InChI=1S/C22H20N4O2S/c1-15(25-11-13-28-14-12-25)19-20(16-7-3-2-4-8-16)24-26(21(19)27)22-23-17-9-5-6-10-18(17)29-22/h2-10H,11-14H2,1H3/b19-15-