6-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)sulfanyl]thiopyran-2-one

Systemtic Name: 6-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)sulfanyl]thiopyran-2-one Openeye Name: 6-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)sulfanyl]thiopyran-2-one CAS Name: 6-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)thio]-2-thiopyranone IUPAC Name: 6-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)sulfanyl]thiopyran-2-one Traditional Name: 6-[(2-lauryloxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)thio]thiopyran-2-one Formula: C26H33N3O2S2 MolecularWeight: 483.68912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C2=NC3=CC=CC=C3N2N1)SC4=CC=CC(=O)S4

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C2=NC3=CC=CC=C3N2N1)SC4=CC=CC(=O)S4

InChI

InChI=1S/C26H33N3O2S2/c1-2-3-4-5-6-7-8-9-10-13-19-31-26-24(33-23-18-14-17-22(30)32-23)25-27-20-15-11-12-16-21(20)29(25)28-26/h11-12,14-18,28H,2-10,13,19H2,1H3