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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2

InChI

InChI=1S/C23H22BrN3O2S/c1-2-3-4-7-14-29-19-9-6-5-8-17(19)15-20-22(28)27-23(30-20)25-21(26-27)16-10-12-18(24)13-11-16/h5-6,8-13,15H,2-4,7,14H2,1H3