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

Systemtic Name: 2-[[4-(2-methylpropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-isobutyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-methylpropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-methylpropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-isobutyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)O)C2=CC=CS2

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)O)C2=CC=CS2

InChI

InChI=1S/C12H15N3O2S2/c1-8(2)6-15-11(9-4-3-5-18-9)13-14-12(15)19-7-10(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)