5-[[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one

Systemtic Name: 5-[[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one Openeye Name: 5-[[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(4-methyl-1-piperidyl)thiazol-4-one CAS Name: 5-[[3-(3-chloro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(4-methyl-1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one Traditional Name: 5-[[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(4-methylpiperidino)-2-thiazolin-4-one Formula: C28H29ClN4O2S MolecularWeight: 521.07346

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C)C5=CC=CC=C5)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H29ClN4O2S/c1-3-15-35-24-10-9-20(16-23(24)29)26-21(18-33(31-26)22-7-5-4-6-8-22)17-25-27(34)30-28(36-25)32-13-11-19(2)12-14-32/h4-10,16-19H,3,11-15H2,1-2H3