3-(7-nitro-3-sulfanylidene-1H-isoindol-2-yl)-6-sulfanylidene-piperidin-2-one

Systemtic Name: 3-(7-nitro-3-sulfanylidene-1H-isoindol-2-yl)-6-sulfanylidene-piperidin-2-one Openeye Name: 3-(4-nitro-1-thioxo-isoindolin-2-yl)-6-thioxo-piperidin-2-one CAS Name: 3-(7-nitro-3-sulfanylidene-1H-isoindol-2-yl)-6-sulfanylidene-2-piperidinone IUPAC Name: 3-(7-nitro-3-sulfanylidene-1H-isoindol-2-yl)-6-sulfanylidenepiperidin-2-one Traditional Name: 3-(4-nitro-1-thioxo-isoindolin-2-yl)-6-thioxo-2-piperidone Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=S)NC(=O)C1N2CC3=C(C2=S)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC(=S)NC(=O)C1N2CC3=C(C2=S)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O3S2/c17-12-10(4-5-11(20)14-12)15-6-8-7(13(15)21)2-1-3-9(8)16(18)19/h1-3,10H,4-6H2,(H,14,17,20)