5-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1H-pyrazol-3-olate

Systemtic Name: 5-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1H-pyrazol-3-olate Openeye Name: 5-[(3-methyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1H-pyrazol-3-olate CAS Name: 5-[[(3-methyl-4-oxo-2-quinazolinyl)thio]methyl]-1H-pyrazol-3-olate IUPAC Name: 5-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1H-pyrazol-3-olate Traditional Name: 5-[[(4-keto-3-methyl-quinazolin-2-yl)thio]methyl]-1H-pyrazol-3-olate Formula: C13H11N4O2S- MolecularWeight: 287.31704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=NN3)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=NN3)[O-]

InChI

InChI=1S/C13H12N4O2S/c1-17-12(19)9-4-2-3-5-10(9)14-13(17)20-7-8-6-11(18)16-15-8/h2-6H,7H2,1H3,(H2,15,16,18)/p-1