3-oxidanylidene-4H-4,7-phenanthroline-2-carbothioamide

Systemtic Name: 3-oxidanylidene-4H-4,7-phenanthroline-2-carbothioamide Openeye Name: 3-oxo-4H-4,7-phenanthroline-2-carbothioamide CAS Name: 3-oxo-4H-4,7-phenanthroline-2-carbothioamide IUPAC Name: 3-oxo-4H-4,7-phenanthroline-2-carbothioamide Traditional Name: 3-keto-4H-4,7-phenanthroline-2-carbothioamide Formula: C13H9N3OS MolecularWeight: 255.29506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C=C(C(=O)N3)C(=S)N)N=C1

Isomeric SMILES

C1=CC2=C(C=CC3=C2C=C(C(=O)N3)C(=S)N)N=C1

InChI

InChI=1S/C13H9N3OS/c14-12(18)9-6-8-7-2-1-5-15-10(7)3-4-11(8)16-13(9)17/h1-6H,(H2,14,18)(H,16,17)