(5Z)-5-[(3-bromophenyl)methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Systemtic Name: (5Z)-5-[(3-bromophenyl)methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Openeye Name: (5Z)-5-[(3-bromophenyl)methylene]-2-(4-hexoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-one CAS Name: (5Z)-5-[(3-bromophenyl)methylidene]-2-(4-hexoxyphenyl)-6-thiazolo[3,2-b][1,2,4]triazolone IUPAC Name: (5Z)-5-[(3-bromophenyl)methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Traditional Name: (5Z)-5-(3-bromobenzylidene)-2-(4-hexoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-one Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)Br)SC3=N2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CC(=CC=C4)Br)/SC3=N2

InChI

InChI=1S/C23H22BrN3O2S/c1-2-3-4-5-13-29-19-11-9-17(10-12-19)21-25-23-27(26-21)22(28)20(30-23)15-16-7-6-8-18(24)14-16/h6-12,14-15H,2-5,13H2,1H3/b20-15-