4-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(1,1-diketothiolan-3-yl)piperazino]-3-nitro-benzonitrile Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4S/c16-10-12-1-2-14(15(9-12)19(20)21)18-6-4-17(5-7-18)13-3-8-24(22,23)11-13/h1-2,9,13H,3-8,11H2