2-[[5-(1-pyridin-3-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(1-pyridin-3-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[1-(3-pyridyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[1-(3-pyridinyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(1-pyridin-3-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[1-(3-pyridyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C11H12N4O2S2 MolecularWeight: 296.36858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC2=NN=C(S2)SCC(=O)O

Isomeric SMILES

CC(C1=CN=CC=C1)NC2=NN=C(S2)SCC(=O)O

InChI

InChI=1S/C11H12N4O2S2/c1-7(8-3-2-4-12-5-8)13-10-14-15-11(19-10)18-6-9(16)17/h2-5,7H,6H2,1H3,(H,13,14)(H,16,17)