6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-sulfanylidene-1H-pyrimidin-4-olate

Systemtic Name: 6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-sulfanylidene-1H-pyrimidin-4-olate Openeye Name: 6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-2-thioxo-1H-pyrimidin-4-olate CAS Name: 6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-2-sulfanylidene-1H-pyrimidin-4-olate IUPAC Name: 6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-2-sulfanylidene-1H-pyrimidin-4-olate Traditional Name: 6-[[(1-phenyltetrazol-5-yl)thio]methyl]-2-thioxo-1H-pyrimidin-4-olate Formula: C12H9N6OS2- MolecularWeight: 317.36946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=NC(=S)N3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=NC(=S)N3)[O-]

InChI

InChI=1S/C12H10N6OS2/c19-10-6-8(13-11(20)14-10)7-21-12-15-16-17-18(12)9-4-2-1-3-5-9/h1-6H,7H2,(H2,13,14,19,20)/p-1