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

Systemtic Name: ethyl 4-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-ethyl-1H-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:

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

Isomeric SMILES

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

InChI

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