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

Systemtic Name: 2,9-dibutyl-5-(oxan-2-ylsulfanyl)-1,2,9,10-tetrahydro-1,10-phenanthroline Openeye Name: 2,9-dibutyl-5-tetrahydropyran-2-ylsulfanyl-1,2,9,10-tetrahydro-1,10-phenanthroline CAS Name: 2,9-dibutyl-5-(2-oxanylthio)-1,2,9,10-tetrahydro-1,10-phenanthroline IUPAC Name: 2,9-dibutyl-5-(oxan-2-ylsulfanyl)-1,2,9,10-tetrahydro-1,10-phenanthroline Traditional Name: 2,9-dibutyl-5-(tetrahydropyran-2-ylthio)-1,2,9,10-tetrahydro-1,10-phenanthroline Formula: C25H36N2OS MolecularWeight: 412.63114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC2=CC(=C3C=CC(NC3=C2N1)CCCC)SC4CCCCO4

Isomeric SMILES

CCCCC1C=CC2=CC(=C3C=CC(NC3=C2N1)CCCC)SC4CCCCO4

InChI

InChI=1S/C25H36N2OS/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/h12-15,17,19-20,23,26-27H,3-11,16H2,1-2H3