4-(4-sulfanylidene-1,3,5-triazinan-1-yl)benzenesulfonate

Systemtic Name: 4-(4-sulfanylidene-1,3,5-triazinan-1-yl)benzenesulfonate Openeye Name: 4-(4-thioxo-1,3,5-triazinan-1-yl)benzenesulfonate CAS Name: 4-(4-sulfanylidene-1,3,5-triazinan-1-yl)benzenesulfonate IUPAC Name: 4-(4-sulfanylidene-1,3,5-triazinan-1-yl)benzenesulfonate Traditional Name: 4-(4-thioxo-1,3,5-triazinan-1-yl)besylate Formula: C9H10N3O3S2- MolecularWeight: 272.324

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)NCN1C2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1NC(=S)NCN1C2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C9H11N3O3S2/c13-17(14,15)8-3-1-7(2-4-8)12-5-10-9(16)11-6-12/h1-4H,5-6H2,(H2,10,11,16)(H,13,14,15)/p-1