chloranylruthenium(1+); pyridin-2-ylmethanamine; triphenylphosphane; 2,4,5-triphenyl-3H-1,2,4-triazole

Systemtic Name: chloranylruthenium(1+); pyridin-2-ylmethanamine; triphenylphosphane; 2,4,5-triphenyl-3H-1,2,4-triazole Openeye Name: chlororuthenium(1+); 2-pyridylmethanamine; triphenylphosphane; 2,4,5-triphenyl-3H-1,2,4-triazole CAS Name: chlororuthenium(1+); 2-pyridinylmethanamine; triphenylphosphine; 2,4,5-triphenyl-3H-1,2,4-triazole IUPAC Name: chlororuthenium(1+); pyridin-2-ylmethanamine; triphenylphosphane; 2,4,5-triphenyl-3H-1,2,4-triazole Traditional Name: chlororuthenium(1+); 2-pyridylmethylamine; triphenylphosphine; 2,4,5-triphenyl-3H-1,2,4-triazole Formula: C44H39ClN5PRu MolecularWeight: 805.310721

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=NN1C2=CC=CC=[C-]2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=NC(=C1)CN.Cl[Ru+]

Isomeric SMILES

C1N(C(=NN1C2=CC=CC=[C-]2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=NC(=C1)CN.Cl[Ru+]

InChI

InChI=1S/C20H16N3.C18H15P.C6H8N2.ClH.Ru/c1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-6-3-1-2-4-8-6;;/h1-14H,16H2;1-15H;1-4H,5,7H2;1H;/q-1;;;;+2/p-1