6-(4-ethoxyphenyl)-2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

Systemtic Name: 6-(4-ethoxyphenyl)-2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione Openeye Name: 6-(4-ethoxyphenyl)-2-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolo[3,2-b][1,2,4]triazine-3,7-dione CAS Name: 6-(4-ethoxyphenyl)-2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]thiazolo[3,2-b][1,2,4]triazine-3,7-dione IUPAC Name: 6-(4-ethoxyphenyl)-2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione Traditional Name: 2-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-6-p-phenetyl-thiazolo[3,2-b][1,2,4]triazine-3,7-quinone Formula: C33H29N5O4S MolecularWeight: 591.67946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCC(C)C)C6=CC=CC=C6)SC3=NC2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCC(C)C)C6=CC=CC=C6)SC3=NC2=O

InChI

InChI=1S/C33H29N5O4S/c1-4-41-26-14-12-23(13-15-26)30-31(39)34-33-38(36-30)32(40)28(43-33)18-24-19-37(25-8-6-5-7-9-25)35-29(24)22-10-16-27(17-11-22)42-20-21(2)3/h5-19,21H,4,20H2,1-3H3