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

Systemtic Name: 2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H19N4O2S- MolecularWeight: 283.36986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCC2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C12H20N4O2S/c13-16-10(7-6-9-4-2-1-3-5-9)14-15-12(16)19-8-11(17)18/h9H,1-8,13H2,(H,17,18)/p-1