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

Systemtic Name: 2-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-[(1-ethyl-2-pyrrolidinyl)methyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-[(1-ethylpyrrolidin-2-yl)methyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2CCCN2CC)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1CC2CCCN2CC)SCC(=O)O

InChI

InChI=1S/C14H24N4O2S/c1-3-6-12-15-16-14(21-10-13(19)20)18(12)9-11-7-5-8-17(11)4-2/h11H,3-10H2,1-2H3,(H,19,20)