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

Systemtic Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCC(=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-9-5-3-4-6-10(9)12-14-15-13(16(12)2)19-8-7-11(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)/p-1