2-(4-tert-butylphenyl)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Systemtic Name: 2-(4-tert-butylphenyl)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Openeye Name: 2-(4-tert-butylphenyl)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]thiazolo[3,2-b][1,2,4]triazol-6-one CAS Name: 2-(4-tert-butylphenyl)-5-[[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylidene]-6-thiazolo[3,2-b][1,2,4]triazolone IUPAC Name: 2-(4-tert-butylphenyl)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Traditional Name: 2-(4-tert-butylphenyl)-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]thiazolo[3,2-b][1,2,4]triazol-6-one Formula: C33H31N5O2S MolecularWeight: 561.69654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)C(C)(C)C)S3)C6=CC=CC=C6

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)C(C)(C)C)S3)C6=CC=CC=C6

InChI

InChI=1S/C33H31N5O2S/c1-5-19-40-27-17-13-22(14-18-27)29-24(21-37(35-29)26-9-7-6-8-10-26)20-28-31(39)38-32(41-28)34-30(36-38)23-11-15-25(16-12-23)33(2,3)4/h6-18,20-21H,5,19H2,1-4H3