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

Systemtic Name: (2S)-2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2S)-2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C16H15N4O2S- MolecularWeight: 327.3809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C16H16N4O2S/c1-10(15(21)22)23-16-19-18-14(20(16)17)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,17H2,1H3,(H,21,22)/p-1/t10-/m0/s1