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

Systemtic Name: (2S)-2-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: (2S)-2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: (2S)-2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]propionate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1N)CCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NN=C(N1N)CCC2=CC=CC=C2

InChI

InChI=1S/C13H16N4O2S/c1-9(12(18)19)20-13-16-15-11(17(13)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,18,19)/p-1/t9-/m0/s1