chloranylruthenium(2+); ethanenitrile; 2-(2H-pyridin-1-id-2-yl)-1,3-benzothiazole; triphenylphosphanium

Systemtic Name: chloranylruthenium(2+); ethanenitrile; 2-(2H-pyridin-1-id-2-yl)-1,3-benzothiazole; triphenylphosphanium Openeye Name: acetonitrile; chlororuthenium(2+); 2-(2H-pyridin-1-id-2-yl)-1,3-benzothiazole; triphenylphosphonium CAS Name: acetonitrile; chlororuthenium(2+); 2-(2H-pyridin-1-id-2-yl)-1,3-benzothiazole; triphenylphosphonium IUPAC Name: acetonitrile; chlororuthenium(2+); 2-(2H-pyridin-1-id-2-yl)-1,3-benzothiazole; triphenylphosphanium Traditional Name: acetonitrile; chlororuthenium(2+); 2-(2H-pyridin-1-id-2-yl)-1,3-benzothiazole; triphenylphosphonium Formula: C34H31ClN4PRuS+2 MolecularWeight: 695.198501

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)N=C(S2)C3C=CC=C[N-]3.Cl[Ru+2]

Isomeric SMILES

CC#N.CC#N.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)N=C(S2)C3C=CC=C[N-]3.Cl[Ru+2]

InChI

InChI=1S/C18H15P.C12H9N2S.2C2H3N.ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10;2*1-2-3;;/h1-15H;1-8,10H;2*1H3;1H;/q;-1;;;;+3