3-nitro-4-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile Openeye Name: 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-3-nitro-benzonitrile Formula: C11H6N4O4S MolecularWeight: 290.25474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC2=NC(=CC(=O)N2)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C11H6N4O4S/c12-5-6-1-2-8(7(3-6)15(18)19)20-11-13-9(16)4-10(17)14-11/h1-4H,(H2,13,14,16,17)