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

Systemtic Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate Openeye Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C16H20N4O3S/c1-4-13-18-16(20-19-13)24-10(3)14(21)17-12-8-6-11(7-9-12)15(22)23-5-2/h6-10H,4-5H2,1-3H3,(H,17,21)(H,18,19,20)