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

Systemtic Name: ethyl 3-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OCC)C3CCCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OCC)C3CCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-3-25-19(15-9-6-5-7-10-15)23-24-21(25)29-14-18(26)22-17-12-8-11-16(13-17)20(27)28-4-2/h8,11-13,15H,3-7,9-10,14H2,1-2H3,(H,22,26)