2-(4-methylphenyl)-5-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Systemtic Name: 2-(4-methylphenyl)-5-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Openeye Name: 5-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(p-tolyl)thiazolo[3,2-b][1,2,4]triazol-6-one CAS Name: 2-(4-methylphenyl)-5-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-6-thiazolo[3,2-b][1,2,4]triazolone IUPAC Name: 2-(4-methylphenyl)-5-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Traditional Name: 5-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(p-tolyl)thiazolo[3,2-b][1,2,4]triazol-6-one Formula: C31H25N5O2S MolecularWeight: 531.6275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCC=C)C)C6=CC=CC=C6)SC3=N2

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCC=C)C)C6=CC=CC=C6)SC3=N2

InChI

InChI=1S/C31H25N5O2S/c1-4-16-38-26-15-14-23(17-21(26)3)28-24(19-35(33-28)25-8-6-5-7-9-25)18-27-30(37)36-31(39-27)32-29(34-36)22-12-10-20(2)11-13-22/h4-15,17-19H,1,16H2,2-3H3