2-(4-sulfanylidene-1,3,5-triazinan-1-yl)pentanedioic acid

Systemtic Name: 2-(4-sulfanylidene-1,3,5-triazinan-1-yl)pentanedioic acid Openeye Name: 2-(4-thioxo-1,3,5-triazinan-1-yl)pentanedioic acid CAS Name: 2-(4-sulfanylidene-1,3,5-triazinan-1-yl)pentanedioic acid IUPAC Name: 2-(4-sulfanylidene-1,3,5-triazinan-1-yl)pentanedioic acid Traditional Name: 2-(4-thioxo-1,3,5-triazinan-1-yl)glutaric acid Formula: C8H13N3O4S MolecularWeight: 247.27152

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)NCN1C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1NC(=S)NCN1C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C8H13N3O4S/c12-6(13)2-1-5(7(14)15)11-3-9-8(16)10-4-11/h5H,1-4H2,(H,12,13)(H,14,15)(H2,9,10,16)