5-(4-nitrophenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-nitrophenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-nitrophenyl)-6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-nitrophenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-nitrophenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-nitrophenyl)-6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C11H7N5O3S MolecularWeight: 289.26998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=CNNC3=NC2=S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=CNNC3=NC2=S)[N+](=O)[O-]

InChI

InChI=1S/C11H7N5O3S/c17-10-8-5-12-14-9(8)13-11(20)15(10)6-1-3-7(4-2-6)16(18)19/h1-5H,(H2,12,13,14,20)