2-(cyanomethylsulfonyl)ethanenitrile; gold(3+); 2-(4-methylbenzene-6-id-1-yl)pyridine

Systemtic Name: 2-(cyanomethylsulfonyl)ethanenitrile; gold(3+); 2-(4-methylbenzene-6-id-1-yl)pyridine Openeye Name: 2-(cyanomethylsulfonyl)acetonitrile; gold(3+); 2-(4-methylbenzene-6-id-1-yl)pyridine CAS Name: 2-(cyanomethylsulfonyl)acetonitrile; gold(3+); 2-(4-methyl-1-benzene-6-idyl)pyridine IUPAC Name: 2-(cyanomethylsulfonyl)acetonitrile; gold(3+); 2-(4-methylbenzene-6-id-1-yl)pyridine Traditional Name: 2-(cyanomethylsulfonyl)acetonitrile; gold(3+); 2-(4-methylbenzene-6-id-1-yl)pyridine Formula: C16H12AuN3O2S MolecularWeight: 507.31693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C([C-]=C1)C2=CC=CC=N2.[CH-](C#N)S(=O)(=O)[CH-]C#N.[Au+3]

Isomeric SMILES

CC1=CC=C([C-]=C1)C2=CC=CC=N2.[CH-](C#N)S(=O)(=O)[CH-]C#N.[Au+3]

InChI

InChI=1S/C12H10N.C4H2N2O2S.Au/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;5-1-3-9(7,8)4-2-6;/h2-7,9H,1H3;3-4H;/q-1;-2;+3