2-(3-propyl-5-sulfanidyl-1,2,4-triazol-4-yl)ethanoate

Systemtic Name: 2-(3-propyl-5-sulfanidyl-1,2,4-triazol-4-yl)ethanoate Openeye Name: 2-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)acetate CAS Name: 2-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)acetate IUPAC Name: 2-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)acetate Traditional Name: 2-(3-propyl-5-sulfido-1,2,4-triazol-4-yl)acetate Formula: C7H9N3O2S-2 MolecularWeight: 199.23026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)[O-])[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)[O-])[S-]

InChI

InChI=1S/C7H11N3O2S/c1-2-3-5-8-9-7(13)10(5)4-6(11)12/h2-4H2,1H3,(H,9,13)(H,11,12)/p-2