1-[[5-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[(2-keto-2-p-phenetyl-ethyl)thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OCC)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OCC)CN3CCCCCC3=O

InChI

InChI=1S/C21H28N4O3S/c1-3-25-19(14-24-13-7-5-6-8-20(24)27)22-23-21(25)29-15-18(26)16-9-11-17(12-10-16)28-4-2/h9-12H,3-8,13-15H2,1-2H3