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

Systemtic Name: 2-[[4-azanyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(1-methyl-1-phenyl-ethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-amino-5-cumyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C13H16N4O2S/c1-13(2,9-6-4-3-5-7-9)11-15-16-12(17(11)14)20-8-10(18)19/h3-7H,8,14H2,1-2H3,(H,18,19)