2,9-dibutyl-5-(oxan-2-ylsulfanyl)-1,10-phenanthroline

Systemtic Name: 2,9-dibutyl-5-(oxan-2-ylsulfanyl)-1,10-phenanthroline Openeye Name: 2,9-dibutyl-5-tetrahydropyran-2-ylsulfanyl-1,10-phenanthroline CAS Name: 2,9-dibutyl-5-(2-oxanylthio)-1,10-phenanthroline IUPAC Name: 2,9-dibutyl-5-(oxan-2-ylsulfanyl)-1,10-phenanthroline Traditional Name: 2,9-dibutyl-5-(tetrahydropyran-2-ylthio)-1,10-phenanthroline Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C3C(=C(C=C2C=C1)SC4CCCCO4)C=CC(=N3)CCCC

Isomeric SMILES

CCCCC1=NC2=C3C(=C(C=C2C=C1)SC4CCCCO4)C=CC(=N3)CCCC

InChI

InChI=1S/C25H32N2OS/c1-3-5-9-19-13-12-18-17-22(29-23-11-7-8-16-28-23)21-15-14-20(10-6-4-2)27-25(21)24(18)26-19/h12-15,17,23H,3-11,16H2,1-2H3