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

Systemtic Name: 2-ethylsulfanyl-6-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]pyrimidin-4-olate Openeye Name: 2-ethylsulfanyl-6-[[(Z)-(3-nitrophenyl)methyleneamino]carbamoyl]pyrimidin-4-olate CAS Name: 2-(ethylthio)-6-[[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-oxomethyl]-4-pyrimidinolate IUPAC Name: 2-ethylsulfanyl-6-[[(Z)-(3-nitrophenyl)methylideneamino]carbamoyl]pyrimidin-4-olate Traditional Name: 2-(ethylthio)-6-[[(Z)-(3-nitrobenzylidene)amino]carbamoyl]pyrimidin-4-olate Formula: C14H12N5O4S- MolecularWeight: 346.34118

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=CC(=N1)[O-])C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NC(=CC(=N1)[O-])C(=O)N/N=C\C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S/c1-2-24-14-16-11(7-12(20)17-14)13(21)18-15-8-9-4-3-5-10(6-9)19(22)23/h3-8H,2H2,1H3,(H,18,21)(H,16,17,20)/p-1/b15-8-