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

Systemtic Name: 3-nitro-4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzamide Openeye Name: 3-nitro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide CAS Name: 3-nitro-4-[(6-oxo-1H-pyrimidin-2-yl)thio]benzamide IUPAC Name: 3-nitro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide Traditional Name: 4-[(6-keto-1H-pyrimidin-2-yl)thio]-3-nitro-benzamide Formula: C11H8N4O4S MolecularWeight: 292.27062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O4S/c12-10(17)6-1-2-8(7(5-6)15(18)19)20-11-13-4-3-9(16)14-11/h1-5H,(H2,12,17)(H,13,14,16)