sodium 3-[1-(phenylmethyl)-5-sulfanylidene-2H-1,2,3-triazol-4-yl]propanoic acid

Systemtic Name: sodium 3-[1-(phenylmethyl)-5-sulfanylidene-2H-1,2,3-triazol-4-yl]propanoic acid Openeye Name: sodium 3-(1-benzyl-5-thioxo-2H-triazol-4-yl)propanoic acid CAS Name: sodium 3-[1-(phenylmethyl)-5-sulfanylidene-2H-triazol-4-yl]propanoic acid IUPAC Name: sodium 3-(1-benzyl-5-sulfanylidene-2H-triazol-4-yl)propanoic acid Traditional Name: sodium 3-(1-benzyl-5-thioxo-2H-triazol-4-yl)propionic acid Formula: C12H13N3NaO2S+ MolecularWeight: 286.30529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=S)C(=NN2)CCC(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=S)C(=NN2)CCC(=O)O.[Na+]

InChI

InChI=1S/C12H13N3O2S.Na/c16-11(17)7-6-10-12(18)15(14-13-10)8-9-4-2-1-3-5-9;/h1-5,14H,6-8H2,(H,16,17);/q;+1