2-methylsulfanyl-6-[[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]pyrimidin-4-olate

Systemtic Name: 2-methylsulfanyl-6-[[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]pyrimidin-4-olate Openeye Name: 2-methylsulfanyl-6-[[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]pyrimidin-4-olate CAS Name: 2-(methylthio)-6-[[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-oxomethyl]-4-pyrimidinolate IUPAC Name: 2-methylsulfanyl-6-[[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]pyrimidin-4-olate Traditional Name: 6-[[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]-2-(methylthio)pyrimidin-4-olate Formula: C13H10N5O5S- MolecularWeight: 348.314

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)[O-])C(=O)NNC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=CC(=N1)[O-])C(=O)NNC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O5S/c1-24-13-15-9(5-11(20)16-13)12(21)17-14-6-7-4-8(18(22)23)2-3-10(7)19/h2-6,14H,1H3,(H,17,21)(H,15,16,20)/p-1