(2S)-2-[(6-methyl-3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(6-methyl-3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanyl]propanoic acid Openeye Name: (2S)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)thio]propanoic acid IUPAC Name: (2S)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(3-keto-6-methyl-2H-1,2,4-triazin-5-yl)thio]propionic acid Formula: C7H9N3O3S MolecularWeight: 215.22966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N=C1SC(C)C(=O)O

Isomeric SMILES

CC1=NNC(=O)N=C1S[C@@H](C)C(=O)O

InChI

InChI=1S/C7H9N3O3S/c1-3-5(8-7(13)10-9-3)14-4(2)6(11)12/h4H,1-2H3,(H,11,12)(H,8,10,13)/t4-/m0/s1