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

Systemtic Name: 2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C17H15N4O2S- MolecularWeight: 339.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=CC=C3C(=O)[O-]

InChI

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