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

Systemtic Name: 3-[[4-azanyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-amino-5-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-amino-5-(4-methylbenzyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCCC(=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-9-2-4-10(5-3-9)8-11-15-16-13(17(11)14)20-7-6-12(18)19/h2-5H,6-8,14H2,1H3,(H,18,19)/p-1