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

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(4-ethoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-phenethyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C26H32N4O2S MolecularWeight: 464.62288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-2-32-23-15-13-22(14-16-23)30-24(17-12-21-10-6-5-7-11-21)27-28-26(30)33-20-25(31)29-18-8-3-4-9-19-29/h5-7,10-11,13-16H,2-4,8-9,12,17-20H2,1H3