2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

Systemtic Name: 2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione Openeye Name: 2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-6-(p-tolylmethyl)thiazolo[3,2-b][1,2,4]triazine-3,7-dione CAS Name: 2-[[3-(2,5-dimethylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-6-[(4-methylphenyl)methyl]thiazolo[3,2-b][1,2,4]triazine-3,7-dione IUPAC Name: 2-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione Traditional Name: 2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-6-(4-methylbenzyl)thiazolo[3,2-b][1,2,4]triazine-3,7-quinone Formula: C31H25N5O2S MolecularWeight: 531.6275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CN(N=C4C5=C(C=CC(=C5)C)C)C6=CC=CC=C6)SC3=NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CN(N=C4C5=C(C=CC(=C5)C)C)C6=CC=CC=C6)SC3=NC2=O

InChI

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