(5Z)-2-[(4-bromanylphenoxy)methyl]-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Systemtic Name: (5Z)-2-[(4-bromanylphenoxy)methyl]-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Openeye Name: (5Z)-2-[(4-bromophenoxy)methyl]-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylene]thiazolo[3,2-b][1,2,4]triazol-6-one CAS Name: (5Z)-2-[(4-bromophenoxy)methyl]-5-[[4-(3,5-diphenyl-1-pyrazolyl)phenyl]methylidene]-6-thiazolo[3,2-b][1,2,4]triazolone IUPAC Name: (5Z)-2-[(4-bromophenoxy)methyl]-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Traditional Name: (5Z)-2-[(4-bromophenoxy)methyl]-5-[4-(3,5-diphenylpyrazol-1-yl)benzylidene]thiazolo[3,2-b][1,2,4]triazol-6-one Formula: C33H22BrN5O2S MolecularWeight: 632.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C=C4C(=O)N5C(=NC(=N5)COC6=CC=C(C=C6)Br)S4)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)/C=C\4/C(=O)N5C(=NC(=N5)COC6=CC=C(C=C6)Br)S4)C7=CC=CC=C7

InChI

InChI=1S/C33H22BrN5O2S/c34-25-13-17-27(18-14-25)41-21-31-35-33-39(37-31)32(40)30(42-33)19-22-11-15-26(16-12-22)38-29(24-9-5-2-6-10-24)20-28(36-38)23-7-3-1-4-8-23/h1-20H,21H2/b30-19-