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

Systemtic Name: 2-[[5-ethyl-4-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-[(1-ethyl-2-pyrrolidinyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2CCCN2CC)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1CC2CCCN2CC)SCC(=O)O

InChI

InChI=1S/C13H22N4O2S/c1-3-11-14-15-13(20-9-12(18)19)17(11)8-10-6-5-7-16(10)4-2/h10H,3-9H2,1-2H3,(H,18,19)