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

Systemtic Name: 2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]acetate Formula: C11H11N4O2S- MolecularWeight: 263.29564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O2S/c12-15-9(6-8-4-2-1-3-5-8)13-14-11(15)18-7-10(16)17/h1-5H,6-7,12H2,(H,16,17)/p-1