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

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(2-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(2-ethoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(2-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(2-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-o-phenetyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H27N5O2S MolecularWeight: 437.55778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCCCC3)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C23H27N5O2S/c1-2-30-20-10-6-5-9-19(20)28-22(18-11-13-24-14-12-18)25-26-23(28)31-17-21(29)27-15-7-3-4-8-16-27/h5-6,9-14H,2-4,7-8,15-17H2,1H3