5-[[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

Systemtic Name: 5-[[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-thiazol-4-one CAS Name: 5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(4-morpholinyl)-4-thiazolone IUPAC Name: 5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-2-thiazolin-4-one Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCOCC4)C5=CC=CC=C5)OC(C)C

InChI

InChI=1S/C27H28N4O3S/c1-18(2)34-23-10-9-20(15-19(23)3)25-21(17-31(29-25)22-7-5-4-6-8-22)16-24-26(32)28-27(35-24)30-11-13-33-14-12-30/h4-10,15-18H,11-14H2,1-3H3