ethanoic acid; nickel; 1,10-phenanthroline; N-[(E)-thiophen-3-ylmethylideneamino]pyridine-4-carboxamide; hydrate

Systemtic Name: ethanoic acid; nickel; 1,10-phenanthroline; N-[(E)-thiophen-3-ylmethylideneamino]pyridine-4-carboxamide; hydrate Openeye Name: acetic acid; nickel; 1,10-phenanthroline; N-[(E)-3-thienylmethyleneamino]pyridine-4-carboxamide; hydrate CAS Name: acetic acid; nickel; 1,10-phenanthroline; N-[(E)-3-thiophenylmethylideneamino]-4-pyridinecarboxamide; hydrate IUPAC Name: acetic acid; nickel; 1,10-phenanthroline; N-[(E)-thiophen-3-ylmethylideneamino]pyridine-4-carboxamide; hydrate Traditional Name: acetic acid; nickel; 1,10-phenanthroline; N-[(E)-3-thenylideneamino]isonicotinamide; hydrate Formula: C25H23N5NiO4S MolecularWeight: 548.23962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CN=CC=C1C(=O)NN=CC2=CSC=C2.O.[Ni]

Isomeric SMILES

CC(=O)O.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CN=CC=C1C(=O)N/N=C/C2=CSC=C2.O.[Ni]

InChI

InChI=1S/C12H8N2.C11H9N3OS.C2H4O2.Ni.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;15-11(10-1-4-12-5-2-10)14-13-7-9-3-6-16-8-9;1-2(3)4;;/h1-8H;1-8H,(H,14,15);1H3,(H,3,4);;1H2/b;13-7+;;;