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

Systemtic Name: 2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H20N4O2S MolecularWeight: 284.3778

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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)