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

Systemtic Name: 2-[[5-(dibutylamino)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(dibutylamino)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(dibutylamino)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(dibutylamino)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(dibutylamino)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H24N4O2S MolecularWeight: 300.42026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NN=C(N1C)SCC(=O)O

Isomeric SMILES

CCCCN(CCCC)C1=NN=C(N1C)SCC(=O)O

InChI

InChI=1S/C13H24N4O2S/c1-4-6-8-17(9-7-5-2)12-14-15-13(16(12)3)20-10-11(18)19/h4-10H2,1-3H3,(H,18,19)