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

Systemtic Name: 3-nitro-4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile Openeye Name: 3-nitro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile CAS Name: 3-nitro-4-[(6-oxo-1H-pyrimidin-2-yl)thio]benzonitrile IUPAC Name: 3-nitro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile Traditional Name: 4-[(6-keto-1H-pyrimidin-2-yl)thio]-3-nitro-benzonitrile Formula: C11H6N4O3S MolecularWeight: 274.25534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N4O3S/c12-6-7-1-2-9(8(5-7)15(17)18)19-11-13-4-3-10(16)14-11/h1-5H,(H,13,14,16)