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

Systemtic Name: 2-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-[(1-ethyl-2-pyrrolidinyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN2C=NN=C2SCC(=O)O

Isomeric SMILES

CCN1CCCC1CN2C=NN=C2SCC(=O)O

InChI

InChI=1S/C11H18N4O2S/c1-2-14-5-3-4-9(14)6-15-8-12-13-11(15)18-7-10(16)17/h8-9H,2-7H2,1H3,(H,16,17)