3-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 3-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C20H19N4O3S- MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)[O-])C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)[O-])C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H20N4O3S/c1-3-24-18(15-7-9-17(10-8-15)21-13(2)25)22-23-20(24)28-12-14-5-4-6-16(11-14)19(26)27/h4-11H,3,12H2,1-2H3,(H,21,25)(H,26,27)/p-1