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

Systemtic Name: (2S)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: (2S)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: (2S)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]propionate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1C)CCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NN=C(N1C)CCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-10(13(18)19)20-14-16-15-12(17(14)2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,18,19)/p-1/t10-/m0/s1