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

Systemtic Name: 2-[(4-pentyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-isopropyl-4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-pentyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-pentyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-amyl-5-isopropyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H21N3O2S MolecularWeight: 271.37904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NN=C1SCC(=O)O)C(C)C

Isomeric SMILES

CCCCCN1C(=NN=C1SCC(=O)O)C(C)C

InChI

InChI=1S/C12H21N3O2S/c1-4-5-6-7-15-11(9(2)3)13-14-12(15)18-8-10(16)17/h9H,4-8H2,1-3H3,(H,16,17)