gold(3+); 1-[3-(phenylcarbamothioylamino)phenyl]-1,2,3,4-tetrazole-5-thiolate

Systemtic Name: gold(3+); 1-[3-(phenylcarbamothioylamino)phenyl]-1,2,3,4-tetrazole-5-thiolate Openeye Name: gold(3+); 1-[3-(phenylcarbamothioylamino)phenyl]tetrazole-5-thiolate CAS Name: 1-[3-[[anilino(sulfanylidene)methyl]amino]phenyl]-5-tetrazolethiolate; gold(3+) IUPAC Name: gold(3+); 1-[3-(phenylcarbamothioylamino)phenyl]tetrazole-5-thiolate Traditional Name: gold(3+); 1-[3-(phenylthiocarbamoylamino)phenyl]tetrazole-5-thiolate Formula: C28H22AuN12S4+ MolecularWeight: 851.78123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)N3C(=NN=N3)[S-].C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)N3C(=NN=N3)[S-].[Au+3]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)N3C(=NN=N3)[S-].C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)N3C(=NN=N3)[S-].[Au+3]

InChI

InChI=1S/2C14H12N6S2.Au/c2*21-13(15-10-5-2-1-3-6-10)16-11-7-4-8-12(9-11)20-14(22)17-18-19-20;/h2*1-9H,(H2,15,16,21)(H,17,19,22);/q;;+3/p-2