1-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CN3CCCCCC3=O

InChI

InChI=1S/C20H28N4O3S/c1-3-24-18(15-23-12-6-4-5-7-19(23)25)21-22-20(24)28-14-13-27-17-10-8-16(26-2)9-11-17/h8-11H,3-7,12-15H2,1-2H3