6-[(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-[(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-[(3-nitrophenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-[(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-[(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-(3-nitrobenzyl)-2-thioxo-1H-pyrimidin-4-one Formula: C11H9N3O3S MolecularWeight: 263.27246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CC(=O)NC(=S)N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CC(=O)NC(=S)N2

InChI

InChI=1S/C11H9N3O3S/c15-10-6-8(12-11(18)13-10)4-7-2-1-3-9(5-7)14(16)17/h1-3,5-6H,4H2,(H2,12,13,15,18)