8-(diethylcarbamothioyl)-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 8-(diethylcarbamothioyl)-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-(diethylcarbamothioyl)-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[diethylamino(sulfanylidene)methyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-(diethylcarbamothioyl)-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-(diethylthiocarbamoyl)-4-keto-3H-1,10-phenanthroline-3-carboxylic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)O

Isomeric SMILES

CCN(CC)C(=S)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-3-21(4-2)17(25)11-7-10-5-6-12-15(14(10)19-8-11)20-9-13(16(12)22)18(23)24/h5-9,13H,3-4H2,1-2H3,(H,23,24)