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

Systemtic Name: 2-[(4-azanyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-amino-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-amino-5-cyclopentyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-amino-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-amino-5-cyclopentyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C9H14N4O2S MolecularWeight: 242.29806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

C1CCC(C1)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C9H14N4O2S/c10-13-8(6-3-1-2-4-6)11-12-9(13)16-5-7(14)15/h6H,1-5,10H2,(H,14,15)