2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-dec-9-enyl-1H-1,2,4-triazol-3-yl)thio]acetic acid Formula: C14H23N3O2S MolecularWeight: 297.41632

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCC1=NC(=NN1)SCC(=O)O

Isomeric SMILES

C=CCCCCCCCCC1=NC(=NN1)SCC(=O)O

InChI

InChI=1S/C14H23N3O2S/c1-2-3-4-5-6-7-8-9-10-12-15-14(17-16-12)20-11-13(18)19/h2H,1,3-11H2,(H,18,19)(H,15,16,17)