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

Systemtic Name: (2S)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2S)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[4-methyl-5-(m-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(=C1)C2=NN=C(N2C)SC(C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)S[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-8-5-4-6-10(7-8)11-14-15-13(16(11)3)19-9(2)12(17)18/h4-7,9H,1-3H3,(H,17,18)/p-1/t9-/m0/s1