N-[(8-oxidanylquinolin-2-yl)methyl]-2-sulfanyl-ethanamide; rhenium; hydrate

Systemtic Name: N-[(8-oxidanylquinolin-2-yl)methyl]-2-sulfanyl-ethanamide; rhenium; hydrate Openeye Name: N-[(8-hydroxy-2-quinolyl)methyl]-2-sulfanyl-acetamide; rhenium; hydrate CAS Name: N-[(8-hydroxy-2-quinolinyl)methyl]-2-mercaptoacetamide; rhenium; hydrate IUPAC Name: N-[(8-hydroxyquinolin-2-yl)methyl]-2-sulfanylacetamide; rhenium; hydrate Traditional Name: N-[(8-hydroxy-2-quinolyl)methyl]-2-mercapto-acetamide; rhenium; hydrate Formula: C12H14N2O3ReS MolecularWeight: 452.52316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)N=C(C=C2)CNC(=O)CS.O.[Re]

Isomeric SMILES

C1=CC2=C(C(=C1)O)N=C(C=C2)CNC(=O)CS.O.[Re]

InChI

InChI=1S/C12H12N2O2S.H2O.Re/c15-10-3-1-2-8-4-5-9(14-12(8)10)6-13-11(16)7-17;;/h1-5,15,17H,6-7H2,(H,13,16);1H2;