2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]acetate Formula: C7H11N4O2S- MolecularWeight: 215.25284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC(=O)[O-]

InChI

InChI=1S/C7H12N4O2S/c1-4(2)6-9-10-7(11(6)8)14-3-5(12)13/h4H,3,8H2,1-2H3,(H,12,13)/p-1