1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O2S/c1-31-22-13-11-21(12-14-22)24-26-27-25(29(24)18-15-20-9-5-4-6-10-20)32-19-23(30)28-16-7-2-3-8-17-28/h4-6,9-14H,2-3,7-8,15-19H2,1H3