N-(4-methoxyphenyl)pyridine-2-carbothioamide; 1,10-phenanthroline; ruthenium(2+); diperchlorate

Systemtic Name: N-(4-methoxyphenyl)pyridine-2-carbothioamide; 1,10-phenanthroline; ruthenium(2+); diperchlorate Openeye Name: N-(4-methoxyphenyl)pyridine-2-carbothioamide; 1,10-phenanthroline; ruthenium(2+); diperchlorate CAS Name: N-(4-methoxyphenyl)-2-pyridinecarbothioamide; 1,10-phenanthroline; ruthenium(2+); diperchlorate IUPAC Name: N-(4-methoxyphenyl)pyridine-2-carbothioamide; 1,10-phenanthroline; ruthenium(2+); diperchlorate Traditional Name: N-(4-methoxyphenyl)thiopicolinamide; 1,10-phenanthroline; ruthenium(2+); diperchlorate Formula: C37H28Cl2N6O9RuS MolecularWeight: 904.69402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)C2=CC=CC=N2.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ru+2]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)C2=CC=CC=N2.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ru+2]

InChI

InChI=1S/C13H12N2OS.2C12H8N2.2ClHO4.Ru/c1-16-11-7-5-10(6-8-11)15-13(17)12-4-2-3-9-14-12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;/h2-9H,1H3,(H,15,17);2*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2