2-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 2-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 2-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C20H19N4O3S- MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-2-24-17(12-14-8-4-3-5-9-14)22-23-20(24)28-13-18(25)21-16-11-7-6-10-15(16)19(26)27/h3-11H,2,12-13H2,1H3,(H,21,25)(H,26,27)/p-1