(5Z)-2-(4-ethoxyphenyl)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Systemtic Name: (5Z)-2-(4-ethoxyphenyl)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Openeye Name: (5Z)-2-(4-ethoxyphenyl)-5-[[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolo[3,2-b][1,2,4]triazol-6-one CAS Name: (5Z)-2-(4-ethoxyphenyl)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-6-thiazolo[3,2-b][1,2,4]triazolone IUPAC Name: (5Z)-2-(4-ethoxyphenyl)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Traditional Name: (5Z)-5-[[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-p-phenetyl-thiazolo[3,2-b][1,2,4]triazol-6-one Formula: C33H31N5O3S MolecularWeight: 577.69594

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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)OCCC(C)C)C6=CC=CC=C6)SC3=N2

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)OCCC(C)C)C6=CC=CC=C6)/SC3=N2

InChI

InChI=1S/C33H31N5O3S/c1-4-40-27-16-12-24(13-17-27)31-34-33-38(36-31)32(39)29(42-33)20-25-21-37(26-8-6-5-7-9-26)35-30(25)23-10-14-28(15-11-23)41-19-18-22(2)3/h5-17,20-22H,4,18-19H2,1-3H3/b29-20-