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

Systemtic Name: (2S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: (2S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: (2S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)S[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C12H13N3O2S/c1-8(11(16)17)18-12-14-13-9(2)15(12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17)/p-1/t8-/m0/s1