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

Systemtic Name: 2-[(4-cyclopentyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-cyclopentyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-cyclopentyl-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-cyclopentyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-cyclopentyl-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H19N3O2S MolecularWeight: 269.36316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2CCCC2)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2CCCC2)SCC(=O)O

InChI

InChI=1S/C12H19N3O2S/c1-2-5-10-13-14-12(18-8-11(16)17)15(10)9-6-3-4-7-9/h9H,2-8H2,1H3,(H,16,17)