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

Systemtic Name: 2,9-dimethyl-5-(oxan-2-ylsulfanyl)-1,10-phenanthroline Openeye Name: 2,9-dimethyl-5-tetrahydropyran-2-ylsulfanyl-1,10-phenanthroline CAS Name: 2,9-dimethyl-5-(2-oxanylthio)-1,10-phenanthroline IUPAC Name: 2,9-dimethyl-5-(oxan-2-ylsulfanyl)-1,10-phenanthroline Traditional Name: 2,9-dimethyl-5-(tetrahydropyran-2-ylthio)-1,10-phenanthroline Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C3C(=C(C=C2C=C1)SC4CCCCO4)C=CC(=N3)C

Isomeric SMILES

CC1=NC2=C3C(=C(C=C2C=C1)SC4CCCCO4)C=CC(=N3)C

InChI

InChI=1S/C19H20N2OS/c1-12-6-8-14-11-16(23-17-5-3-4-10-22-17)15-9-7-13(2)21-19(15)18(14)20-12/h6-9,11,17H,3-5,10H2,1-2H3