1-(azepan-1-yl)-2-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(1-piperidyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(2-oxolanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-piperidino-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H33N5O2S MolecularWeight: 407.57332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2CC3CCCO3)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2CC3CCCO3)N4CCCCC4

InChI

InChI=1S/C20H33N5O2S/c26-18(23-10-4-1-2-5-11-23)16-28-20-22-21-19(24-12-6-3-7-13-24)25(20)15-17-9-8-14-27-17/h17H,1-16H2