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

Systemtic Name: 3-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]propionate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCCC(=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c13-16-10(8-9-4-2-1-3-5-9)14-15-12(16)19-7-6-11(17)18/h1-5H,6-8,13H2,(H,17,18)/p-1