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

Systemtic Name: ethyl 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC

Isomeric SMILES

CCN1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC

InChI

InChI=1S/C15H18N4O3S/c1-3-19-10-16-18-15(19)23-9-13(20)17-12-8-6-5-7-11(12)14(21)22-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)