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

Systemtic Name: 1-[[4-ethyl-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-3-24-18(13-23-12-6-4-5-7-19(23)26)21-22-20(24)28-14-17(25)15-8-10-16(27-2)11-9-15/h8-11H,3-7,12-14H2,1-2H3