2-[(4-propan-2-yl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(4-propan-2-yl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4-isopropyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid CAS Name: 2-[(4-propan-2-yl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)thio]propanoic acid IUPAC Name: 2-[(4-propan-2-yl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-isopropyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)thio]propionic acid Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N3C1=NN=C3SC(C)C(=O)O

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N3C1=NN=C3SC(C)C(=O)O

InChI

InChI=1S/C14H16N4O2S/c1-8(2)17-10-6-4-5-7-11(10)18-13(17)15-16-14(18)21-9(3)12(19)20/h4-9H,1-3H3,(H,19,20)