2-methylsulfanyl-6-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]pyrimidin-4-olate

Systemtic Name: 2-methylsulfanyl-6-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]pyrimidin-4-olate Openeye Name: 2-methylsulfanyl-6-[[(Z)-(3-nitrophenyl)methyleneamino]carbamoyl]pyrimidin-4-olate CAS Name: 2-(methylthio)-6-[[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-oxomethyl]-4-pyrimidinolate IUPAC Name: 2-methylsulfanyl-6-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]pyrimidin-4-olate Traditional Name: 2-(methylthio)-6-[[(Z)-(3-nitrobenzylidene)amino]carbamoyl]pyrimidin-4-olate Formula: C13H10N5O4S- MolecularWeight: 332.3146

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)[O-])C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=CC(=N1)[O-])C(=O)N/N=C\C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O4S/c1-23-13-15-10(6-11(19)16-13)12(20)17-14-7-8-3-2-4-9(5-8)18(21)22/h2-7H,1H3,(H,17,20)(H,15,16,19)/p-1/b14-7-