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

Systemtic Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetic acid Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)O

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)O

InChI

InChI=1S/C7H11N3O2S/c1-2-3-5-8-7(10-9-5)13-4-6(11)12/h2-4H2,1H3,(H,11,12)(H,8,9,10)