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

Systemtic Name: 2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)O

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)O

InChI

InChI=1S/C9H15N3O2S/c1-2-3-4-5-12-7-10-11-9(12)15-6-8(13)14/h7H,2-6H2,1H3,(H,13,14)