4-[4-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(2-thioxooxazolidin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(2-sulfanylidene-3-oxazolidinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(2-thioxooxazolidin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C15H19N4O3S2+ MolecularWeight: 367.46636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2CCOC2=S)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CN2CCOC2=S)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H18N4O3S2/c16-11-13-1-3-14(4-2-13)24(20,21)19-7-5-17(6-8-19)12-18-9-10-22-15(18)23/h1-4H,5-10,12H2/p+1