sodium 2-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]ethanoate

Systemtic Name: sodium 2-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]ethanoate Openeye Name: sodium 2-(5-benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetate CAS Name: sodium 2-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]acetate IUPAC Name: sodium 2-(5-benzyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetate Traditional Name: sodium 2-(5-benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetate Formula: C12H13N2NaO2S2 MolecularWeight: 304.36359

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CC2=CC=CC=C2)CC(=O)[O-].[Na+]

Isomeric SMILES

C1N(CSC(=S)N1CC2=CC=CC=C2)CC(=O)[O-].[Na+]

InChI

InChI=1S/C12H14N2O2S2.Na/c15-11(16)7-13-8-14(12(17)18-9-13)6-10-4-2-1-3-5-10;/h1-5H,6-9H2,(H,15,16);/q;+1/p-1