3-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H16N4O2S/c18-21-15(10-12-5-2-1-3-6-12)19-20-17(21)24-11-13-7-4-8-14(9-13)16(22)23/h1-9H,10-11,18H2,(H,22,23)