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

Systemtic Name: 2-[[4-azanyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(4-methylbenzyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C12H14N4O2S/c1-8-2-4-9(5-3-8)6-10-14-15-12(16(10)13)19-7-11(17)18/h2-5H,6-7,13H2,1H3,(H,17,18)