(2S)-2-[[6-(4-methylphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanyl]propanoate

Systemtic Name: (2S)-2-[[6-(4-methylphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[[5-oxido-6-(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[6-(4-methylphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]propanoate IUPAC Name: (2S)-2-[[6-(4-methylphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-oxido-6-(p-tolyl)-1,2,4-triazin-3-yl]thio]propionate Formula: C13H11N3O3S-2 MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N=N2)SC(C)C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N=N2)S[C@@H](C)C(=O)[O-])[O-]

InChI

InChI=1S/C13H13N3O3S/c1-7-3-5-9(6-4-7)10-11(17)14-13(16-15-10)20-8(2)12(18)19/h3-6,8H,1-2H3,(H,18,19)(H,14,16,17)/p-2/t8-/m0/s1