5-nitro-6-oxidanylidene-2-[2-(prop-2-enylcarbamothioyl)hydrazinyl]-1H-pyrimidin-4-olate

Systemtic Name: 5-nitro-6-oxidanylidene-2-[2-(prop-2-enylcarbamothioyl)hydrazinyl]-1H-pyrimidin-4-olate Openeye Name: 2-[2-(allylcarbamothioyl)hydrazino]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-nitro-6-oxo-2-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazo]-1H-pyrimidin-4-olate IUPAC Name: 5-nitro-6-oxo-2-[2-(prop-2-enylcarbamothioyl)hydrazinyl]-1H-pyrimidin-4-olate Traditional Name: 2-[N'-(allylthiocarbamoyl)hydrazino]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C8H9N6O4S- MolecularWeight: 285.25986

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC1=NC(=C(C(=O)N1)[N+](=O)[O-])[O-]

Isomeric SMILES

C=CCNC(=S)NNC1=NC(=C(C(=O)N1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C8H10N6O4S/c1-2-3-9-8(19)13-12-7-10-5(15)4(14(17)18)6(16)11-7/h2H,1,3H2,(H2,9,13,19)(H3,10,11,12,15,16)/p-1