5-[(4-heptoxy-3-methoxy-phenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Systemtic Name: 5-[(4-heptoxy-3-methoxy-phenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Openeye Name: 5-[(4-heptoxy-3-methoxy-phenyl)methylene]-2-phenyl-thiazolo[3,2-b][1,2,4]triazol-6-one CAS Name: 5-[(4-heptoxy-3-methoxyphenyl)methylidene]-2-phenyl-6-thiazolo[3,2-b][1,2,4]triazolone IUPAC Name: 5-[(4-heptoxy-3-methoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Traditional Name: 5-(4-heptoxy-3-methoxy-benzylidene)-2-phenyl-thiazolo[3,2-b][1,2,4]triazol-6-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2)OC

InChI

InChI=1S/C25H27N3O3S/c1-3-4-5-6-10-15-31-20-14-13-18(16-21(20)30-2)17-22-24(29)28-25(32-22)26-23(27-28)19-11-8-7-9-12-19/h7-9,11-14,16-17H,3-6,10,15H2,1-2H3