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

Systemtic Name: 5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Openeye Name: 5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(3-pyridyl)thiazolo[3,2-b][1,2,4]triazol-6-one CAS Name: 5-[[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(3-pyridinyl)-6-thiazolo[3,2-b][1,2,4]triazolone IUPAC Name: 5-[[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Traditional Name: 5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(3-pyridyl)thiazolo[3,2-b][1,2,4]triazol-6-one Formula: C29H24N6O2S MolecularWeight: 520.60486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N6O2S/c1-3-14-37-24-12-11-20(15-19(24)2)26-22(18-34(32-26)23-9-5-4-6-10-23)16-25-28(36)35-29(38-25)31-27(33-35)21-8-7-13-30-17-21/h4-13,15-18H,3,14H2,1-2H3