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

Systemtic Name: 2-[[4-(2-methylpropyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(4-isobutyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[4-(2-methylpropyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-methylpropyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-isobutyl-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(C)C)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1CC(C)C)SCC(=O)O

InChI

InChI=1S/C11H19N3O2S/c1-4-5-9-12-13-11(17-7-10(15)16)14(9)6-8(2)3/h8H,4-7H2,1-3H3,(H,15,16)